Geometry & MOs

Info

ID:	225529
PubChem CID:	85852732
Reduced:	FH4C5 (6)
Stoich.:	AB4C5 (6)
Weight, g/mol:	314.210661
ΔH_f, kcal/mol:	-222.17
Dipole, Da:	4.83
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-7-piperazin-1-yl-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=C(C(=C(C=C2)C3=CC(=C(C(=C3)F)C4=CC(=C(C(=C4)F)CCC)F)F)F)F

DOS

IR

Vibrations