Geometry & MOs

Info

ID:	213896
PubChem CID:	81065527
Reduced:	ClN2O3C14H21 (1)
Stoich.:	AB2C3D14E21 (1)
Weight, g/mol:	280.105922
ΔH_f, kcal/mol:	-148.51
Dipole, Da:	5.12
IP(EA), eV:	-9.08(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=CN1C(C)C)Cl

DOS

IR

Vibrations