Geometry & MOs

Info

ID:	9317
PubChem CID:	87904
Reduced:	BrNOH13C14 (2)
Stoich.:	ABCD13E14 (2)
Weight, g/mol:	582.03405
ΔH_f, kcal/mol:	12.06
Dipole, Da:	11.66
IP(EA), eV:	-8.05(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4=CC=C(C=C4)C.[Br-].[Br-]

DOS

IR

Vibrations