Geometry & MOs

Info

ID:

177440

PubChem CID:

76185752

Reduced:

O4C11H11 (1)

Stoich.:

A4B11C11 (1)

Weight, g/mol:

193.050084

ΔHf, kcal/mol:

-114.87

Dipole, Da:

6.51

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.124932

Charge, e:

 -1

Chem-info

IUPAC name:

2-(2-carboxyethenyl)-3-methoxyphenolate

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1[O-])C=CC(=O)O

DOS

IR

Vibrations