Geometry & MOs

Info

ID:	413776
PubChem CID:	135086726
Reduced:	N4C13H13 (1)
Stoich.:	A4B13C13 (1)
Weight, g/mol:	243.1046
ΔH_f, kcal/mol:	119.41
Dipole, Da:	2.01
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.184194
Charge, e:	1

Chem-info

IUPAC name:

4-(2-azido-4-fluoro-5-methylphenyl)-1-methylpyridin-1-ium

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations