Geometry & MOs

Info

ID:	79326
PubChem CID:	49748056
Reduced:	FO3N5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	479.233268
ΔH_f, kcal/mol:	-136.68
Dipole, Da:	4.33
IP(EA), eV:	-8.35(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-N'-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C(=O)NC2=CC3=C4C(=C2)CCC(=O)N4CCC3)C5=CC=C(C=C5)F

DOS

IR

Vibrations