Geometry & MOs

Info

ID:	83520
PubChem CID:	49857694
Reduced:	NO3C17H17 (1)
Stoich.:	AB3C17D17 (1)
Weight, g/mol:	283.120843
ΔH_f, kcal/mol:	-94.61
Dipole, Da:	6.68
IP(EA), eV:	-9.68(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamido-3-(3-methylphenyl)propanoic acid

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(CC(=O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations