Geometry & MOs

Info

ID:	388668
PubChem CID:	134989818
Reduced:	ClON4C12H13 (1)
Stoich.:	ABC4D12E13 (1)
Weight, g/mol:	195.032516
ΔH_f, kcal/mol:	27.29
Dipole, Da:	6.52
IP(EA), eV:	-9.49(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-chloro-2-methyl-1H-cinnolin-2-ium-4-one

Drug info:

PubChemData

Smile

CCCN1C(=C(N=N1)C(=O)C2=CC=C(C=C2)Cl)N

DOS

IR

Vibrations