Geometry & MOs

Info

ID:	187739
PubChem CID:	77617775
Reduced:	ClN3C30H32 (1)
Stoich.:	AB3C30D32 (1)
Weight, g/mol:	204.044739
ΔH_f, kcal/mol:	60.82
Dipole, Da:	4.15
IP(EA), eV:	-8.51(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-9aH-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Drug info:

PubChemData

Smile

C1C(C(CN1)CC2=C(C=CC(=C2)NCC3=CC=C(C4=CC=CC=C34)CN)Cl)CC5=CC=CC=C5

DOS

IR

Vibrations