Geometry & MOs

Info

ID:	173086
PubChem CID:	75594590
Reduced:	SO3N4H16C17 (1)
Stoich.:	AB3C4D16E17 (1)
Weight, g/mol:	317.12766
ΔH_f, kcal/mol:	-57.99
Dipole, Da:	1.54
IP(EA), eV:	-9.27(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-methyl-2-(3-methylphenyl)-1H-1,2,4-triazol-3-ylidene]quinoxalin-2-one

Drug info:

PubChemData

Smile

C1C(CN2C1C(=O)NCC2=O)NC(=O)C3=NC(=CS3)C4=CC=CC=C4

DOS

IR

Vibrations