Geometry & MOs

Info

ID:	351815
PubChem CID:	127282215
Reduced:	O3N4C22H28 (1)
Stoich.:	A3B4C22D28 (1)
Weight, g/mol:	389.213698
ΔH_f, kcal/mol:	-110.39
Dipole, Da:	3.44
IP(EA), eV:	-9.24(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)C3=CC(=O)NC4=CC=CC=C43

DOS

IR

Vibrations