Geometry & MOs

Info

ID:	401448
PubChem CID:	135051296
Reduced:	NSCl3F3O4H13C17 (1)
Stoich.:	ABC3D3E4F13G17 (1)
Weight, g/mol:	340.006272
ΔH_f, kcal/mol:	-282.99
Dipole, Da:	1.93
IP(EA), eV:	-9.7(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methoxy-2-methyl-1-(2,4,6-trichlorophenyl)-1H-isoindol-2-ium

Drug info:

PubChemData

Smile

C[N+]1=C(C2=CC=CC=C2C1C3=C(C=C(C=C3Cl)Cl)Cl)OC.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations