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Related Molecules

  • C7H16
    2-methylhexane
  • C6H14
    2-methylpentane
  • C4H10
    2-methylpropane
  • C6H14
    2,3-dimethylbutane
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    2,3,4-trimethylpentane
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    3-ethylhexane
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    3R-3-ethyl-2,5-dimethylhexane
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  • C6H12
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  • C20H42
    Eicosane
  • CH3CH3
    Ethane
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    1,1,2,2-tetrachloroethane
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    Cis-decahydronaphthalene
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    Cubane
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    Norbornane

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1,3-dichloropropane C3H6Cl2

    

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Molecular Electrostatic Potential (MEP)

Molecular Orbitals

Smiles: C(CCCl)Cl
Mol. Weight: 112.986
IUPAC name: 1,3-dichloropropane
Charge: 0
InChi: 1S/C3H6Cl2/c4-2-1-3-5/h1-3H2
Link to:Pubchem CID:8881

Additional Information

This particular molecular structure was originally obtained from the "Chemical Structures" collection developed by Jerome Pansanel (http://chem-file.sourceforge.net/data/). A single point calculation at the B3LYP/6-31g* level of theory was used to obtain NBO charges and electronic density. The structure is NOT optimized at this level of theory, but at PM3 semiempirical level.

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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