Geometry & MOs

Info

ID:	195811
PubChem CID:	78733644
Reduced:	ClO2N3C17H19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	311.140055
ΔH_f, kcal/mol:	-44.52
Dipole, Da:	7.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.952566
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(2-chlorophenyl)ethylamino]-N-[2-oxo-2-(propylamino)ethyl]acetamide

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)[NH2+]C(C2=CC=CC=C2)C(=O)NC(=O)N

DOS

IR

Vibrations