Geometry & MOs

Info

ID:	413775
PubChem CID:	135086725
Reduced:	OF3N4H10C13 (1)
Stoich.:	AB3C4D10E13 (1)
Weight, g/mol:	225.114021
ΔH_f, kcal/mol:	-74.1
Dipole, Da:	3.5
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.180271
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations