Geometry & MOs

Info

ID:	401447
PubChem CID:	135051291
Reduced:	NOSCl2H13C15 (1)
Stoich.:	ABCD2E13F15 (1)
Weight, g/mol:	488.958297
ΔH_f, kcal/mol:	-7.19
Dipole, Da:	2.13
IP(EA), eV:	-8.83(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C(OC(=[NH+]C2=CC=CC=C2)S1)(C3=CC=CC=C3)Cl.[Cl-]

DOS

IR

Vibrations