Geometry & MOs

Info

ID:	228646
PubChem CID:	87565474
Reduced:	OH3F4C5 (2)
Stoich.:	AB3C4D5 (2)
Weight, g/mol:	482.90159
ΔH_f, kcal/mol:	-467.73
Dipole, Da:	3.61
IP(EA), eV:	-9.94(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-(iodomethyl)-7-(trifluoromethyl)quinolin-1-ium;methyl sulfate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(C(F)(F)F)F)OC(C(F)(F)F)F

DOS

IR

Vibrations