Geometry & MOs

Info

ID:	351825
PubChem CID:	127282225
Reduced:	O2N7C20H27 (1)
Stoich.:	A2B7C20D27 (1)
Weight, g/mol:	393.188626
ΔH_f, kcal/mol:	7.1
Dipole, Da:	6.68
IP(EA), eV:	-9.35(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-[2-(4-fluorophenyl)sulfanylacetyl]piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC(=CC=C3)N4C=NN=N4

DOS

IR

Vibrations