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Related Molecules

  • C6H5BrO
    4-bromophenol
  • C7H7ClO
    4-chloro-2-methylphenol
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    4-chloro-3-methylphenol
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    4-chloroaniline
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    4-chlorophenol
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    4-dimethylaminobenzaldehyde
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    4-methylbenzoic acid
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    5-chloro-2-2,4-dichlorophenoxy phenol
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    E-2-phenylethenyl benzene
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    Benzene-1,2-diol
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    Benzene-1,3-diol
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    Benzene-1,4-diol
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    Benzoic acid
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    Benzonitrile
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    2-chloro-4-nitroaniline
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    2-hydroxybenzaldehyde
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    2-phenylacetic acid
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    2-phenylethanol
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    2,4,6-trinitrotoluene
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    3-pyridin-3-ylpyridine
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    1,2-thiazole
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    1,3-thiazole
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    Isonicotinamide
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    Isonicotinic acid
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    Pyridine
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    Guanine
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    1H-indole
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    7H-purine
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    9H-carbazole
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    9H-fluorene
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    9H-xanthene
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    Porphin
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    1,10-phenanthroline
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    Isoquinoline
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    Phthalimide
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    Quinoline
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    Tetralin
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    Uric acid
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    P-toluenesulfonic acid
  • C4H4S
    Thiophene
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    Benzene

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Isonicotinic acid C6H5NO2

    

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Molecular Electrostatic Potential (MEP)

Molecular Vibrations

Molecular Orbitals

Smiles: c1cc(ccn1)C(=O)O
Mol. Weight: 123.109
IUPAC name: isonicotinic acid
Charge: 0
InChi: 1S/C6H5NO2/c8-6(9)5-1-3-7-4-2-5/h1-4H,(H,8,9)
Link to:Pubchem CID:5922

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.

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