Geometry & MOs

Info

ID:	413995
PubChem CID:	135086948
Reduced:	N4C15H15 (1)
Stoich.:	A4B15C15 (1)
Weight, g/mol:	301.145322
ΔH_f, kcal/mol:	139.99
Dipole, Da:	4.39
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.124346
Charge, e:	1

Chem-info

IUPAC name:

3-(2-azido-5-methylphenyl)-1-benzylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N=[N+]=[N-])C2=C[N+](=CC=C2)CC=C

DOS

IR

Vibrations