Geometry & MOs

Info

ID:	73924
PubChem CID:	48421131
Reduced:	OSN6C16H28 (1)
Stoich.:	ABC6D16E28 (1)
Weight, g/mol:	364.202989
ΔH_f, kcal/mol:	-2.47
Dipole, Da:	7.12
IP(EA), eV:	-8.43(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN=C(S1)NC(=O)N2CCC(CC2)CCN3CCN(CC3)C

DOS

IR

Vibrations