Geometry & MOs

Info

ID:	413080
PubChem CID:	135086024
Reduced:	N4H15C18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	239.129672
ΔH_f, kcal/mol:	155.65
Dipole, Da:	3.29
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.160139
Charge, e:	1

Chem-info

IUPAC name:

4-(2-azido-3,5-dimethylphenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=CC=C3N=[N+]=[N-]

DOS

IR

Vibrations