Geometry & MOs

Info

ID:	74169
PubChem CID:	48421541
Reduced:	ON5C22H31 (1)
Stoich.:	AB5C22D31 (1)
Weight, g/mol:	409.188067
ΔH_f, kcal/mol:	-3.73
Dipole, Da:	4.44
IP(EA), eV:	-8.42(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-chloro-4-nitrophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC=CC4=C3C=CN=C4

DOS

IR

Vibrations