Geometry & MOs

Info

ID:	73922
PubChem CID:	48421103
Reduced:	ClN2O4C16H25 (1)
Stoich.:	AB2C4D16E25 (1)
Weight, g/mol:	344.257612
ΔH_f, kcal/mol:	-177.51
Dipole, Da:	1.73
IP(EA), eV:	-8.89(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)OCCOCC(CN(C)C(=O)NC1=CC=CC=C1Cl)O

DOS

IR

Vibrations