Geometry & MOs

Info

ID:	143006
PubChem CID:	53131471
Reduced:	FO2N4H19C20 (1)
Stoich.:	AB2C4D19E20 (1)
Weight, g/mol:	366.149204
ΔH_f, kcal/mol:	-49.61
Dipole, Da:	5.27
IP(EA), eV:	-8.56(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-methylquinoxalin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations