Find: Models 360
MoleculesSolids
  • 3D structure: Jmol
  • Molecular Properties
  • Images
  • Export

Related Molecules

  • C10H8N2
    4-pyridin-4-ylpyridine
  • C15H12N2O
    5-phenyl-1,3-dihydro-2H-1,4-benzodiazepin-2-one
  • C19H22N2OS
    Acepromazine
  • C16H13ClN2O
    Diazepam
  • C4H4BrNO2
    1-bromopyrrolidine-2,5-dione
  • C6H7N
    1H-azepine
  • C6H13N
    Azepane
  • C4H10N2
    Piperazine
  • C5H11N
    Piperidine
  • C4H9N
    Pyrrolidine
  • C5H9NO2
    D-proline
  • C6H9N3O2
    L-histidine
  • C5H9NO2
    L-proline
  • C11H12N2O2
    L-tryptophan
  • C9H8N2
    1H-1,2-benzodiazepine
  • C9H8N2
    1H-1,4-benzodiazepine
  • C10H8N2
    2-pyridin-2-ylpyridine
  • C12H15NO3
    2,2-dimethyl-3H-benzofuran-7-yl N-methylcarbamate
  • C10H8N2
    3-pyridin-3-ylpyridine
  • C4H8O2
    1,4-dioxane
  • C12H24O6
    1,4,7,10,13,16-hexaoxacyclooctadecane
  • C8H10O
    2,7-dimethyloxepin
  • C4H4O
    Furan
  • C4H8O
    Tetrahydrofuran
  • C3H4N2
    1H-pyrazole
  • C5H5NS
    1H-pyridine-2-thione
  • C4H5N
    1H-pyrrole
  • C3H3NO
    1,2-oxazole
  • C3H3NS
    1,2-thiazole
  • C3H3NO
    1,3-oxazole
  • C3H3NS
    1,3-thiazole
  • C6H6N2O
    Isonicotinamide
  • C5H5N
    Pyridine
  • C5H4O3
    3-methylfuran-2,5-dione
  • C4H5N3O
    Cytosine
  • C8H7N
    1H-indole
  • C5H4N4
    7H-purine
  • C12H9N
    9H-carbazole
  • C13H10O
    9H-xanthene
  • C20H14N4
    Porphin
  • C5H5N5
    Adenine
  • C12H8N2
    1,10-phenanthroline
  • C8H6N2
    1,8-naphthyridine
  • C10H8O2
    2-Benzofuranyl methyl ketone
  • C9H8O
    2H-chromene
  • C9H8O
    4H-chromene
  • C10H9NO3
    N-2-hydroxyethylphthalimide
  • C13H9N
    Acridine
  • C8H6O
    Benzofuran
  • C8H6S
    Benzothiophene
  • C8H10N4O2
    Caffeine
  • C9H6O2
    Chromone
  • C8H6N2
    Cinnoline
  • C9H6O2
    Coumarin
  • C9H7N
    Isoquinoline
  • C5H4N4O3
    Uric acid
  • C4H4S
    Thiophene
Isonicotinamide C6H6N2O
×

    

Display







Molecular Electrostatic Potential (MEP)

Molecular Vibrations

Molecular Orbitals

Smiles: c1cc(ccn1)C(=O)N
Mol. Weight: 122.125
IUPAC name: isonicotinamide
Charge: 0
InChi: 1S/C6H6N2O/c7-6(9)5-1-3-8-4-2-5/h1-4H,(H2,7,9)
Link to:Pubchem CID:15074

Additional Information

The molecular structure has been optimized at the B3LYP/6-31g* level of theory. Charges used for electrostatic maps are computed using the NBO method. The molecular vibrations are the eigenvectors of the Hessian of the potential.

The symmetry group was detected using Serguei Patchkovskii's code (http://www.cobalt.chem.ucalgary.ca/ps/symmetry/)

Most of the Jmol drawing capabilities (Symmetry, Electrostatic Maps, Vibrations and others) are developed by Bob Hanson and the Jmol community of developers.

WebPage/Iframe with Jmol

In the box below is HTML code to embed this Jmol into your own Web page. Copy the code and paste it into your Web page code.

Menus to Include:

All
Display Options
Molecular Electrostatic Potential (MEP)
Molecular Vibrations
Symmetry Elements
Molecular Orbitals

Custom Size: pixels

Copy from this text area:

Export to ChemPRIME/MediaWiki

ChemPRIME project is a full general chemistry textbook available online through the ChemEd DL. We seek collaborators to add exemplars to ChemPRIME that describe chemistry topics within various contexts, such as biological science, food chemistry, and everyday life. ChemPRIME is built using MediaWiki (the same platform used to build Wikipedia). ChemEd DL encourages users to add Jmols from Models360 to their own exemplars. MediaWiki does not allow full HTML code to be inserted, so the ChemEd DL community has created a MediaWiki extension that enables embedding Jmols. The extension is installed in ChemPRIME, so the code below allows you to add this Jmol to a ChemPRIME page. More information is at ChemPRIME Help:Media. Contact us if you would like to use this MediaWiki extension on your own wiki.

Menus to Include:

All
Display Options
Molecular Electrostatic Potential (MEP)
Molecular Vibrations
Symmetry Elements
Molecular Orbitals

Custom Size: pixels

Copy from this text area:

More information about embedding Jmols in ChemPRIME can be found here

Export to ChemPaths (Drupal), ChemEd Courses (Moodle)

ChemPaths is the ChemEd DL's Drupal-powered integrated online textbook. Students can explore a full online textbook or other learning pathways. Instructors can sign-up to build their own pathways through course material. Drupal does not allow full HTML code to be inserted, so the ChemEd DL community has created a Drupal extension that enables embedding Jmols. The extension is installed in ChemPaths (currently in beta-testing), so the code below allows you to add this Jmol to a course in a pathway. If you would like to use this Drupal extension within your own Drupal installation, contact us.

ChemEd Courses is the ChemEd DL's Moodle course management system. Users can manage their own courses, or develop learning resources in Moodle to share with the community. Moodle does not allow full HTML code to be inserted, so the ChemEd DL community has created a Moodle extension that enables embedding Jmols. The extension is installed in ChemEd Courses, so the code below allows you to add this Jmol to a course in ChemEd Courses. If you would like to use this Moodle extension within your own Moodle installation, contact us.

Menus to Include:

All
Display Options
Molecular Electrostatic Potential (MEP)
Molecular Vibrations
Symmetry Elements
Molecular Orbitals

Custom Size: pixels

Copy from this text area:

More information about embedding options for Jmols can be found here