Geometry & MOs

Info

ID:	413161
PubChem CID:	135086106
Reduced:	F3N4H10C13 (1)
Stoich.:	A3B4C10D13 (1)
Weight, g/mol:	243.1046
ΔH_f, kcal/mol:	-28.88
Dipole, Da:	3.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.117099
Charge, e:	1

Chem-info

IUPAC name:

2-(2-azido-3-fluoro-4-methylphenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations