Geometry & MOs

Info

ID:

413401

PubChem CID:

135086350

Reduced:

FN4H10C12 (1)

Stoich.:

AB4C10D12 (1)

Weight, g/mol:

245.059399

ΔHf, kcal/mol:

82.2

Dipole, Da:

3.19

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.182551

Charge, e:

 1

Chem-info

IUPAC name:

4-(2-azido-5-chlorophenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations