Geometry & MOs

Info

ID:	213276
PubChem CID:	81063313
Reduced:	N4O4C13H16 (1)
Stoich.:	A4B4C13D16 (1)
Weight, g/mol:	266.090272
ΔH_f, kcal/mol:	-118.87
Dipole, Da:	5.32
IP(EA), eV:	-9.1(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)CN1C(=O)N2C=CC=CC2=N1

DOS

IR

Vibrations