Geometry & MOs

Info

ID:	213271
PubChem CID:	81063300
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-136.07
Dipole, Da:	5.35
IP(EA), eV:	-8.38(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-4-[(3-methyl-4-nitrobenzoyl)amino]butanoic acid

Drug info:

PubChemData

Smile

CCN(CC)C1=CC=C(C=C1)C(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations