Geometry & MOs

Info

ID:	47166
PubChem CID:	10530134
Reduced:	BrNC13H13 (2)
Stoich.:	ABC13D13 (2)
Weight, g/mol:	366.209599
ΔH_f, kcal/mol:	61.59
Dipole, Da:	7.75
IP(EA), eV:	-7.87(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

4-methyl-1-[[2-[2-[(4-methylpyridin-1-ium-1-yl)methyl]phenyl]phenyl]methyl]pyridin-1-ium

Drug info:

PubChemData

Smile

CC1=CC=[N+](C=C1)CC2=CC=CC=C2C3=CC=CC=C3C[N+]4=CC=C(C=C4)C.[Br-].[Br-]

DOS

IR

Vibrations