Geometry & MOs

Info

ID:	178758
PubChem CID:	76377451
Reduced:	FO5C8H13 (1)
Stoich.:	AB5C8D13 (1)
Weight, g/mol:	309.146384
ΔH_f, kcal/mol:	-276.55
Dipole, Da:	3.37
IP(EA), eV:	-10.52(0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(1-methyl-1,2,4-triazol-3-yl)-5-propan-2-yl-9aH-imidazo[1,5-a]quinoxalin-5-ium-4-one

Drug info:

PubChemData

Smile

CC1OCC2C(O1)C(C(C(O2)O)O)F

DOS

IR

Vibrations