Geometry & MOs

Info

ID:	174787
PubChem CID:	75814240
Reduced:	O6H19C20 (1)
Stoich.:	A6B19C20 (1)
Weight, g/mol:	356.125988
ΔH_f, kcal/mol:	-111.7
Dipole, Da:	21.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.048565
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(2,4-dimethoxyphenyl)-3-oxoprop-1-enyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCC(=O)[O-])OC

DOS

IR

Vibrations