Geometry & MOs

Info

ID:	413241
PubChem CID:	135086188
Reduced:	ClN4H10C12 (1)
Stoich.:	AB4C10D12 (1)
Weight, g/mol:	279.085756
ΔH_f, kcal/mol:	121.11
Dipole, Da:	1.55
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.129033
Charge, e:	1

Chem-info

IUPAC name:

3-[2-azido-5-(trifluoromethyl)phenyl]-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations