Geometry & MOs

Info

ID:

193776

PubChem CID:

78434628

Reduced:

O3H11C12 (1)

Stoich.:

A3B11C12 (1)

Weight, g/mol:

235.060648

ΔHf, kcal/mol:

-35.8

Dipole, Da:

4.69

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.780078

Charge, e:

 -1

Chem-info

IUPAC name:

4-(2,4-dimethoxyphenyl)-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations