Geometry & MOs

Info

ID:	24301
PubChem CID:	609180
Reduced:	O2N4H8C9 (1)
Stoich.:	A2B4C8D9 (1)
Weight, g/mol:	204.064726
ΔH_f, kcal/mol:	82.31
Dipole, Da:	0.79
IP(EA), eV:	-10.09(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methyl-3-oxido-4,5-dihydro-[1,2,5]oxadiazolo[3,4-f]cinnolin-3-ium

Drug info:

PubChemData

Smile

CC1=CN=NC2=C1C3=NO[N+](=C3CC2)[O-]

DOS

IR

Vibrations