Geometry & MOs

Info

ID:

57147

PubChem CID:

22395396

Reduced:

O3C9H13 (1)

Stoich.:

A3B9C13 (1)

Weight, g/mol:

170.094294

ΔHf, kcal/mol:

-114.29

Dipole, Da:

2.28

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.755802

Charge, e:

 0

Chem-info

IUPAC name:

5-ethenyl-2-hydroxycyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

C=CC1CCC(C(C1)C(=O)[O-])O

DOS

IR

Vibrations