Geometry & MOs

Info

ID:	83365
PubChem CID:	49857500
Reduced:	NO4C17H17 (1)
Stoich.:	AB4C17D17 (1)
Weight, g/mol:	314.090272
ΔH_f, kcal/mol:	-127.23
Dipole, Da:	10.21
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzamido-3-(2-nitrophenyl)propanoic acid

Drug info:

PubChemData

Smile

COC1=CC=CC=C1C(CC(=O)O)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations