Geometry & MOs

Info

ID:	178636
PubChem CID:	76359212
Reduced:	F3N3O3H22C23 (1)
Stoich.:	A3B3C3D22E23 (1)
Weight, g/mol:	420.252526
ΔH_f, kcal/mol:	-191.07
Dipole, Da:	6.06
IP(EA), eV:	-8.93(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-methylpiperazin-1-yl)-1-phenylethyl]-2-oxo-6-phenylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC(=O)C=C(C3=CC=CC=C3)C(F)(F)F

DOS

IR

Vibrations