Geometry & MOs

Info

ID:

414229

PubChem CID:

135087185

Reduced:

F3N4H10C13 (1)

Stoich.:

A3B4C10D13 (1)

Weight, g/mol:

225.114021

ΔHf, kcal/mol:

-29.97

Dipole, Da:

1.35

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.018914

Charge, e:

 1

Chem-info

IUPAC name:

2-(2-azido-4-methylphenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC=CC=C1C2=C(C=CC(=C2)C(F)(F)F)N=[N+]=[N-]

DOS

IR

Vibrations