Geometry & MOs

Info

ID:	74179
PubChem CID:	48421554
Reduced:	O2N6C21H30 (1)
Stoich.:	A2B6C21D30 (1)
Weight, g/mol:	398.164017
ΔH_f, kcal/mol:	-13.67
Dipole, Da:	4.08
IP(EA), eV:	-8.69(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dichlorophenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC=CC(=C3)C4=NN=CO4

DOS

IR

Vibrations