Geometry & MOs

Info

ID:	73925
PubChem CID:	48421133
Reduced:	ClON4C19H29 (1)
Stoich.:	ABC4D19E29 (1)
Weight, g/mol:	400.29506
ΔH_f, kcal/mol:	-38.28
Dipole, Da:	4.54
IP(EA), eV:	-8.68(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-(2-pyrrolidin-1-ylpyridin-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC=CC=C3Cl

DOS

IR

Vibrations