Geometry & MOs

Info

ID:	175323
PubChem CID:	75882787
Reduced:	O4H17C19 (1)
Stoich.:	A4B17C19 (1)
Weight, g/mol:	310.120509
ΔH_f, kcal/mol:	-47.46
Dipole, Da:	12.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.030461
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[3-(4-methylphenyl)-3-oxoprop-1-enyl]phenoxy]propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)C=CC2=CC=C(C=C2)OCCC(=O)[O-]

DOS

IR

Vibrations