Geometry & MOs

Info

ID:	156317
PubChem CID:	56370065
Reduced:	NOC9H9 (3)
Stoich.:	ABC9D9 (3)
Weight, g/mol:	493.151682
ΔH_f, kcal/mol:	-47.35
Dipole, Da:	5.76
IP(EA), eV:	-9.42(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[1-[4-(5-nitropyridin-2-yl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1CC1NC(=O)C(CC2=CC=CC=C2)NC(=O)CNC(=O)C3=CC=C(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations