Geometry & MOs

Info

ID:	144864
PubChem CID:	53425699
Reduced:	INOF3H5C7 (1)
Stoich.:	ABCD3E5F7 (1)
Weight, g/mol:	241.002049
ΔH_f, kcal/mol:	-149.81
Dipole, Da:	3.32
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-methylpyridin-2-yl) trifluoromethanesulfonate

Drug info:

PubChemData

Smile

COC1=NC(=C(C=C1)I)C(F)(F)F

DOS

IR

Vibrations