Geometry & MOs

Info

ID:	52026
PubChem CID:	12014798
Reduced:	NSF3O3C5H9 (2)
Stoich.:	ABC3D3E5F9 (2)
Weight, g/mol:	499.156381
ΔH_f, kcal/mol:	-550.38
Dipole, Da:	11.62
IP(EA), eV:	-10.92(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl-(111C)methyl-[6-(trimethylazaniumyl)hexyl]azanium;trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[N+]12CC[N+](CC1)(CC2)[11CH3].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-]

DOS

IR

Vibrations