Geometry & MOs

Info

ID:	214019
PubChem CID:	81065812
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-154.85
Dipole, Da:	5.2
IP(EA), eV:	-8.93(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(2-methyl-3-nitroanilino)butanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)N1CC(=O)NC2=CC=CC=C21

DOS

IR

Vibrations