Geometry & MOs

Info

ID:	168281
PubChem CID:	74944598
Reduced:	SO4N6C26H28 (1)
Stoich.:	AB4C6D26E28 (1)
Weight, g/mol:	497.224046
ΔH_f, kcal/mol:	-13.3
Dipole, Da:	5.55
IP(EA), eV:	-8.96(-3.16)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

9-[5-[[3-(3-fluoro-4-methylphenoxy)-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]-1,2-oxazol-3-yl]fluoren-9-ol

Drug info:

PubChemData

Smile

CCCN1C(=O)C2=NC(=NC2=NC1=O)C3=CC=C(C=C3)S(=O)(=O)N4CCN(CC4)CC5=CC=C(C=C5)C

DOS

IR

Vibrations