Geometry & MOs

Info

ID:	56227
PubChem CID:	17422707
Reduced:	FSN4O5C19H19 (1)
Stoich.:	ABC4D5E19F19 (1)
Weight, g/mol:	329.246713
ΔH_f, kcal/mol:	-171.42
Dipole, Da:	4.08
IP(EA), eV:	-8.62(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclopentyl-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]acetamide

Drug info:

PubChemData

Smile

CN1C(=O)CCC(=N1)C(=O)NC2=CC(=C(C=C2)OC)NS(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations