Geometry & MOs

Info

ID:	388631
PubChem CID:	134989698
Reduced:	BrNOCl2H4C9 (1)
Stoich.:	ABCD2E4F9 (1)
Weight, g/mol:	159.092223
ΔH_f, kcal/mol:	-20.81
Dipole, Da:	2.72
IP(EA), eV:	-9.07(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-dimethylcinnolin-2-ium

Drug info:

PubChemData

Smile

C1=C2C=C(C(=CC2=C(NC1=O)Br)Cl)Cl

DOS

IR

Vibrations