Geometry & MOs

Info

ID:	23173
PubChem CID:	602674
Reduced:	O3N4C6H6 (1)
Stoich.:	A3B4C6D6 (1)
Weight, g/mol:	182.04399
ΔH_f, kcal/mol:	90.45
Dipole, Da:	1.55
IP(EA), eV:	-9.84(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,7-dimethyl-5,6-dioxido-[1,2,5]oxadiazolo[3,4-d]pyridazine-5,6-diium

Drug info:

PubChemData

Smile

CC1=[N+]([N+](=C(C2=NON=C12)C)[O-])[O-]

DOS

IR

Vibrations