Geometry & MOs

Info

ID:	387835
PubChem CID:	134987087
Reduced:	ClON2H9C14 (1)
Stoich.:	ABC2D9E14 (1)
Weight, g/mol:	317.96877
ΔH_f, kcal/mol:	37.15
Dipole, Da:	3.06
IP(EA), eV:	-8.94(-1.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-methylsulfanylcinnolin-2-ium;iodide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C(=O)C3=C(C=CC(=C3)Cl)C=N2

DOS

IR

Vibrations