Geometry & MOs

Info

ID:	186005
PubChem CID:	77377308
Reduced:	ON3C10H11 (2)
Stoich.:	AB3C10D11 (2)
Weight, g/mol:	415.128541
ΔH_f, kcal/mol:	40.6
Dipole, Da:	4.61
IP(EA), eV:	-8.45(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-chloro-3-[4-(methoxymethyl)triazol-1-yl]-5-(2-methyloxolan-2-yl)-9aH-imidazo[1,5-a]quinoxalin-5-ium-4-one

Drug info:

PubChemData

Smile

CN1C(=O)C2CCCCC2N3C1=C(N=C3)C4=CN(N=N4)C5=CC=CC=C5OC

DOS

IR

Vibrations