Geometry & MOs

Info

ID:	121732
PubChem CID:	50779236
Reduced:	FON4H21C23 (1)
Stoich.:	ABC4D21E23 (1)
Weight, g/mol:	417.161933
ΔH_f, kcal/mol:	7.45
Dipole, Da:	4.72
IP(EA), eV:	-8.95(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-fluoro-N-(3-oxo-3-piperazin-1-ylpropyl)-N-(2-phenylethyl)benzamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1C2=CC=C(C=C2)F)C3=NC4=CC=CC=C4C(=C3)C(=O)NC(C)C

DOS

IR

Vibrations