Geometry & MOs

Info

ID:	406181
PubChem CID:	135076806
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	467.023768
ΔH_f, kcal/mol:	-99.25
Dipole, Da:	5.46
IP(EA), eV:	-10.33(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-methyl-6-phenylpyridin-4-yl) 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=CC=C(C=C1)C(=O)OC)[N+]#[C-]

DOS

IR

Vibrations