Geometry & MOs

Info

ID:	149069
PubChem CID:	53788740
Reduced:	Si3O6C22H46 (1)
Stoich.:	A3B6C22D46 (1)
Weight, g/mol:	359.224915
ΔH_f, kcal/mol:	-493.83
Dipole, Da:	3.4
IP(EA), eV:	-9.45(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[4-[2-(4-methylphenyl)ethynyl]phenoxy]propyl]-2-azabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCCCCCCCOC(=O)C=CC(=O)OCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C

DOS

IR

Vibrations