Geometry & MOs

Info

ID:	27912
PubChem CID:	824126
Reduced:	NOH9C11 (2)
Stoich.:	ABC9D11 (2)
Weight, g/mol:	288.03879
ΔH_f, kcal/mol:	23.45
Dipole, Da:	2.18
IP(EA), eV:	-8.62(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[2-(4-bromophenyl)ethenyl]-1-ethylpyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C2=NC3=C(O2)C=CC(=C3)N=CC4=CC=CC=C4O)C

DOS

IR

Vibrations