Geometry & MOs

Info

ID:	143007
PubChem CID:	53131472
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	404.221226
ΔH_f, kcal/mol:	-48.99
Dipole, Da:	5.43
IP(EA), eV:	-8.58(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methylbenzoyl)piperazin-1-yl]-1-(2-methylpropyl)quinoxalin-2-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C(C1=O)N3CCN(CC3)C(=O)C4=CC(=CC=C4)F

DOS

IR

Vibrations