Geometry & MOs

Info

ID:	9358
PubChem CID:	88448
Reduced:	BrNOH13C14 (2)
Stoich.:	ABCD13E14 (2)
Weight, g/mol:	582.03405
ΔH_f, kcal/mol:	65.53
Dipole, Da:	24.34
IP(EA), eV:	-6.53(-3.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylpyridin-1-ium-1-yl)-1-[4-[4-[2-(2-methylpyridin-1-ium-1-yl)acetyl]phenyl]phenyl]ethanone;dibromide

Drug info:

PubChemData

Smile

CC1=CC=CC=[N+]1CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=CC=C4C.[Br-].[Br-]

DOS

IR

Vibrations