Geometry & MOs

Info

ID:	213420
PubChem CID:	81063647
Reduced:	NO4C11H21 (1)
Stoich.:	AB4C11D21 (1)
Weight, g/mol:	314.066949
ΔH_f, kcal/mol:	-211.84
Dipole, Da:	1.41
IP(EA), eV:	-9.63(0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(5-chloro-2-nitrobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCCOCCC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations