Geometry & MOs

Info

ID:

177441

PubChem CID:

76185753

Reduced:

O4H9C10 (1)

Stoich.:

A4B9C10 (1)

Weight, g/mol:

191.070819

ΔHf, kcal/mol:

-105.21

Dipole, Da:

7.97

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.210427

Charge, e:

 -1

Chem-info

IUPAC name:

4-(2-carboxyethenyl)-3,5-dimethylphenolate

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1C=CC(=O)O)[O-]

DOS

IR

Vibrations