Geometry & MOs

Info

ID:	74182
PubChem CID:	48421558
Reduced:	ClON4C20H31 (1)
Stoich.:	ABC4D20E31 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	-51.02
Dipole, Da:	5.93
IP(EA), eV:	-8.41(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)N2CCC(CC2)CCN3CCN(CC3)C)Cl

DOS

IR

Vibrations