Geometry & MOs

Info

ID:	351814
PubChem CID:	127282214
Reduced:	SO2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	396.216141
ΔH_f, kcal/mol:	-69.37
Dipole, Da:	2.37
IP(EA), eV:	-9.15(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopentyl-2-[4-(2-oxo-1H-quinoline-4-carbonyl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCC1)N2CCN(CC2)C(=O)CSC3=CC=NC=C3

DOS

IR

Vibrations