Geometry & MOs

Info

ID:	251081
PubChem CID:	103101348
Reduced:	O3N4C13H20 (1)
Stoich.:	A3B4C13D20 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-107.08
Dipole, Da:	5.94
IP(EA), eV:	-8.39(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-amino-2-chlorophenyl)-2-[(2-amino-2-oxoethyl)-ethylamino]propanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)CC(=O)NC1=C(C=CC(=C1)N)OC

DOS

IR

Vibrations