Geometry & MOs

Info

ID:	22337
PubChem CID:	596775
Reduced:	BrN2H18C23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	401.06534
ΔH_f, kcal/mol:	103.57
Dipole, Da:	4.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.022861
Charge, e:	1

Chem-info

IUPAC name:

1-(9H-fluoren-9-yl)-4-pyridin-4-ylpyridin-1-ium;hydrobromide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(C3=CC=CC=C32)[N+]4=CC=C(C=C4)C5=CC=NC=C5.Br

DOS

IR

Vibrations