Geometry & MOs

Info

ID:	369051
PubChem CID:	127331173
Reduced:	SO3N4C19H30 (1)
Stoich.:	AB3C4D19E30 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-113.97
Dipole, Da:	6.18
IP(EA), eV:	-8.93(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-N-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-yl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCCN(CC1)C(=O)NC2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3

DOS

IR

Vibrations