Geometry & MOs

Info

ID:	165619
PubChem CID:	74576599
Reduced:	ON6C28H32 (1)
Stoich.:	AB6C28D32 (1)
Weight, g/mol:	470.268176
ΔH_f, kcal/mol:	97.12
Dipole, Da:	3.84
IP(EA), eV:	-8.62(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

bis(furan-2-ylmethyl)-[[5-(2-methyl-6-phenylpyrimidin-4-yl)-1-azoniabicyclo[2.2.2]octan-2-yl]methyl]azanium

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC=CO2)C3CN4CCC3CC4CN(CC5=CC=CC=N5)CC6=CC=CC=N6

DOS

IR

Vibrations