Geometry & MOs

Info

ID:	28344
PubChem CID:	827128
Reduced:	ClNO4H6C8 (1)
Stoich.:	ABC4D6E8 (1)
Weight, g/mol:	274.02314
ΔH_f, kcal/mol:	-79.52
Dipole, Da:	6.3
IP(EA), eV:	-10.72(-1.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1[N+](=O)[O-])CC(=O)O)Cl

DOS

IR

Vibrations