Geometry & MOs

Info

ID:	216797
PubChem CID:	85086787
Reduced:	Cl2N2O3C12H12 (1)
Stoich.:	A2B2C3D12E12 (1)
Weight, g/mol:	267.053645
ΔH_f, kcal/mol:	-87.11
Dipole, Da:	8.57
IP(EA), eV:	-9.37(-2.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 2-(6-chloro-4-oxo-6H-cinnolin-2-ium-2-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C[N+]1=CC(=O)C2=CC(C=CC2=N1)Cl.[Cl-]

DOS

IR

Vibrations