Geometry & MOs

Info

ID:	337450
PubChem CID:	127257135
Reduced:	ClNOC21H28 (1)
Stoich.:	ABCD21E28 (1)
Weight, g/mol:	290.070972
ΔH_f, kcal/mol:	-47.41
Dipole, Da:	1.01
IP(EA), eV:	-8.7(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chloro-3-methoxy-5-phenylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)C1=C(C(=C(C(=C1)C2=CC=CC=C2)O)CNC(C)(C)C)Cl

DOS

IR

Vibrations