Geometry & MOs

Info

ID:	121735
PubChem CID:	50779571
Reduced:	O3N4C21H30 (1)
Stoich.:	A3B4C21D30 (1)
Weight, g/mol:	438.183397
ΔH_f, kcal/mol:	-117.56
Dipole, Da:	6.35
IP(EA), eV:	-8.95(-0.27)
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-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

C1CC(=O)N(C1)CCCN(CCC(=O)N2CCNCC2)C(=O)C3=CC=CC=C3

DOS

IR

Vibrations