Geometry & MOs

Info

ID:	251085
PubChem CID:	103101355
Reduced:	O2N4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	312.135304
ΔH_f, kcal/mol:	-77.55
Dipole, Da:	4.63
IP(EA), eV:	-8.27(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCN(CC(=O)N)CC(=O)NC1=C(C=CC=C1N)C

DOS

IR

Vibrations