Geometry & MOs

Info

ID:	74181
PubChem CID:	48421557
Reduced:	O3N5C19H29 (1)
Stoich.:	A3B5C19D29 (1)
Weight, g/mol:	378.218639
ΔH_f, kcal/mol:	-44.78
Dipole, Da:	2.97
IP(EA), eV:	-8.39(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-4-methylphenyl)-4-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations