Geometry & MOs

Info

ID:	200735
PubChem CID:	79435693
Reduced:	O3C14H20 (1)
Stoich.:	A3B14C20 (1)
Weight, g/mol:	318.02554
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	4.72
IP(EA), eV:	-9.66(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-bromophenyl)-2-(3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C(CCOC(C)C)C(=O)O

DOS

IR

Vibrations