Geometry & MOs

Info

ID:	182131
PubChem CID:	76851235
Reduced:	ClFSN2O4H24C26 (1)
Stoich.:	ABCD2E4F24G26 (1)
Weight, g/mol:	164.038591
ΔH_f, kcal/mol:	-130.97
Dipole, Da:	5.94
IP(EA), eV:	-8.56(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4aH-quinoxalin-2-one

Drug info:

PubChemData

Smile

CCOC1=CC2=CC(C(=O)N=C2C=C1)CN(CC3CCCO3)C(=O)C4=C(C5=C(S4)C=C(C=C5)F)Cl

DOS

IR

Vibrations