Geometry & MOs

Info

ID:	45121
PubChem CID:	10508177
Reduced:	O3C20H24 (2)
Stoich.:	A3B20C24 (2)
Weight, g/mol:	434.272199
ΔH_f, kcal/mol:	-200.06
Dipole, Da:	5.22
IP(EA), eV:	-9.01(0.1)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-methyl-4-[7-(1-methylpyridin-1-ium-4-yl)-9,9-dipropylfluoren-2-yl]pyridin-1-ium

Drug info:

PubChemData

Smile

CCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COCC2=CC=CC(=C2)C)OCC3=CC=CC(=C3)C)OCC4=CC=CC(=C4)C)OCC5=CC=CC(=C5)C

DOS

IR

Vibrations