Geometry & MOs

Info

ID:	216796
PubChem CID:	85086786
Reduced:	ClO4N6C9H11 (1)
Stoich.:	AB4C6D9E11 (1)
Weight, g/mol:	302.022498
ΔH_f, kcal/mol:	-57.06
Dipole, Da:	2.68
IP(EA), eV:	-9.95(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C2C(C(C(O2)N3C4=C(C(=NC3=O)N)N=NN41)O)O.Cl

DOS

IR

Vibrations