Geometry & MOs

Info

ID:

413672

PubChem CID:

135086621

Reduced:

N4H11C12 (1)

Stoich.:

A4B11C12 (1)

Weight, g/mol:

229.08895

ΔHf, kcal/mol:

130.89

Dipole, Da:

2.59

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.069041

Charge, e:

 1

Chem-info

IUPAC name:

3-(2-azido-5-fluorophenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C[N+]1=CC=CC(=C1)C2=CC=CC=C2N=[N+]=[N-]

DOS

IR

Vibrations