Geometry & MOs

Info

ID:	233105
PubChem CID:	87692416
Reduced:	OSN6C22H34 (1)
Stoich.:	ABC6D22E34 (1)
Weight, g/mol:	336.127406
ΔH_f, kcal/mol:	-22.34
Dipole, Da:	3.66
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3,3-dimethyl-2-oxido-1-(1-oxidoquinolin-1-ium-3-yl)-4H-isoquinolin-2-ium

Drug info:

PubChemData

Smile

CCC(C)(C)NC(=O)N(C1CCC(CC1)NC2=NC3=CC=CC=C3C(=N2)N(C)C)S

DOS

IR

Vibrations