Geometry & MOs

Info

ID:	251097
PubChem CID:	103101443
Reduced:	ClON3C12H18 (1)
Stoich.:	ABC3D12E18 (1)
Weight, g/mol:	294.169191
ΔH_f, kcal/mol:	-31.97
Dipole, Da:	3.58
IP(EA), eV:	-9.14(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-4-methoxyphenyl)-3-[(2-amino-2-oxoethyl)-ethylamino]propanamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C(CN)C1=CC=CC=C1Cl

DOS

IR

Vibrations