Geometry & MOs

Info

ID:	251093
PubChem CID:	103101409
Reduced:	O3N4C14H22 (1)
Stoich.:	A3B4C14D22 (1)
Weight, g/mol:	298.119654
ΔH_f, kcal/mol:	-115.74
Dipole, Da:	6.16
IP(EA), eV:	-8.26(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-5-chlorophenyl)-3-[(2-amino-2-oxoethyl)-ethylamino]propanamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations