Geometry & MOs

Info

ID:	404614
PubChem CID:	135067838
Reduced:	ClNO2H12C18 (1)
Stoich.:	ABC2D12E18 (1)
Weight, g/mol:	295.084458
ΔH_f, kcal/mol:	1.79
Dipole, Da:	4.04
IP(EA), eV:	-9.13(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-oxidoquinolin-1-ium-2-yl) 2-methoxybenzoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CC=CC=N2)OC(=O)C3=CC=CC=C3Cl

DOS

IR

Vibrations