Geometry & MOs

Info

ID:	437279
PubChem CID:	135221332
Reduced:	ClISN5H11C13 (1)
Stoich.:	ABCD5E11F13 (1)
Weight, g/mol:	464.9732
ΔH_f, kcal/mol:	143.3
Dipole, Da:	4.68
IP(EA), eV:	-7.99(-2.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methylsulfanylpyridin-1-ium-1-yl)-2-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine;iodide

Drug info:

PubChemData

Smile

CSC1=CC=CC=[N+]1C2=CN=C(C=C2)N3C=NC(=N3)Cl.[I-]

DOS

IR

Vibrations