Geometry & MOs

Info

ID:

57360

PubChem CID:

22395746

Reduced:

O4C6H11 (1)

Stoich.:

A4B6C11 (1)

Weight, g/mol:

186.104465

ΔHf, kcal/mol:

-132.89

Dipole, Da:

2.38

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.779622

Charge, e:

 0

Chem-info

IUPAC name:

4-methyl-2-phenylcyclohexa-1,4-dien-1-ol

Drug info:

PubChemData

Smile

CCC(=O)[O-].C1COCO1

DOS

IR

Vibrations