Geometry & MOs

Info

ID:	74166
PubChem CID:	48421538
Reduced:	OSN5C20H29 (1)
Stoich.:	ABC5D20E29 (1)
Weight, g/mol:	331.237211
ΔH_f, kcal/mol:	1.12
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-pyridin-2-ylpiperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations