Geometry & MOs

Info

ID:	52019
PubChem CID:	12014791
Reduced:	SN2F3O3H11C12 (1)
Stoich.:	AB2C3D3E11F12 (1)
Weight, g/mol:	336.169448
ΔH_f, kcal/mol:	-217.09
Dipole, Da:	5.39
IP(EA), eV:	-9.09(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(dimethylamino)hexyl-trimethylazanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[N+]1=CC=C(C=C1)C2=CC=NC=C2.C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations