Geometry & MOs

Info

ID:	213961
PubChem CID:	81065595
Reduced:	Cl2N2O3C14H18 (1)
Stoich.:	A2B2C3D14E18 (1)
Weight, g/mol:	252.111007
ΔH_f, kcal/mol:	-150.7
Dipole, Da:	3.8
IP(EA), eV:	-9.8(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-(5-methyl-2-nitroanilino)butanoic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations