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Related Molecules

  • C7H16
    2-methylhexane
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    2-methylpentane
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1-chloro-1,1,2,2,2-pentafluoroethane C2ClF5

    

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Molecular Electrostatic Potential (MEP)

Molecular Orbitals

Smiles: C(C(F)(Cl)F)(F)(F)F
Mol. Weight: 154.466
IUPAC name: 1-chloro-1,1,2,2,2-pentafluoro-ethane
Charge: 0
InChi: 1S/C2ClF5/c3-1(4,5)2(6,7)8
Link to:Pubchem CID:6430

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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