Geometry & MOs

Info

ID:	413994
PubChem CID:	135086947
Reduced:	ON3H19C21 (1)
Stoich.:	AB3C19D21 (1)
Weight, g/mol:	251.129672
ΔH_f, kcal/mol:	38.01
Dipole, Da:	6.12
IP(EA), eV:	-8.47(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(2-azido-5-methylphenyl)-1-prop-2-enylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=C2C(=CC(=N1)C(=O)NCC3=CC=CC=C3)C4=CC=CC=C4N2C

DOS

IR

Vibrations