Geometry & MOs

Info

ID:	74178
PubChem CID:	48421553
Reduced:	ON8C20H30 (1)
Stoich.:	AB8C20D30 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	40.97
Dipole, Da:	11.44
IP(EA), eV:	-8.77(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(4-methylpiperazin-1-yl)ethyl]-N-[3-(1,3,4-oxadiazol-2-yl)phenyl]piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)CCC2CCN(CC2)C(=O)NC3=CN=C(C=C3)N4C=NC=N4

DOS

IR

Vibrations