Geometry & MOs

Info

ID:	74180
PubChem CID:	48421556
Reduced:	OCl2N4C19H28 (1)
Stoich.:	AB2C4D19E28 (1)
Weight, g/mol:	375.22704
ΔH_f, kcal/mol:	-48.23
Dipole, Da:	7.35
IP(EA), eV:	-8.42(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations