Geometry & MOs

Info

ID:	414228
PubChem CID:	135087184
Reduced:	ClN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	279.085756
ΔH_f, kcal/mol:	123.29
Dipole, Da:	2.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.166934
Charge, e:	1

Chem-info

IUPAC name:

2-[2-azido-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations