Geometry & MOs

Info

ID:	213829
PubChem CID:	81065165
Reduced:	N3O5C11H15 (1)
Stoich.:	A3B5C11D15 (1)
Weight, g/mol:	269.081871
ΔH_f, kcal/mol:	-126.3
Dipole, Da:	4.95
IP(EA), eV:	-10.3(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(3-chlorobenzoyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC=C(N1)[N+](=O)[O-]

DOS

IR

Vibrations