Geometry & MOs

Info

ID:	22794
PubChem CID:	598745
Reduced:	ON3H5C9 (1)
Stoich.:	AB3C5D9 (1)
Weight, g/mol:	171.043262
ΔH_f, kcal/mol:	90.0
Dipole, Da:	5.82
IP(EA), eV:	-9.9(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-oxidoquinoxalin-1-ium-2-carbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N=CC(=[N+]2[O-])C#N

DOS

IR

Vibrations