Geometry & MOs

Info

ID:	67809
PubChem CID:	46507214
Reduced:	SN3O3H11C14 (1)
Stoich.:	AB3C3D11E14 (1)
Weight, g/mol:	292.096026
ΔH_f, kcal/mol:	-60.54
Dipole, Da:	9.37
IP(EA), eV:	-9.08(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenoxy)-2H-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CNC3=C2NC(=S)N(C3=O)CC(=O)O

DOS

IR

Vibrations