Geometry & MOs

Info

ID:	10903
PubChem CID:	108869
Reduced:	ClN2O2C10H13 (1)
Stoich.:	AB2C2D10E13 (1)
Weight, g/mol:	228.066555
ΔH_f, kcal/mol:	-111.73
Dipole, Da:	1.47
IP(EA), eV:	-8.55(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminophenyl)-3-oxobutanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(=O)CC(=O)NC1=CC=CC(=C1)N.Cl

DOS

IR

Vibrations