Geometry & MOs

Info

ID:	213887
PubChem CID:	81065518
Reduced:	NO3C9H15 (1)
Stoich.:	AB3C9D15 (1)
Weight, g/mol:	314.066949
ΔH_f, kcal/mol:	-133.5
Dipole, Da:	3.67
IP(EA), eV:	-9.87(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(2-chloro-4-nitrobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C=C

DOS

IR

Vibrations