Geometry & MOs

Info

ID:	46417
PubChem CID:	10524328
Reduced:	SN2O5C19H20 (1)
Stoich.:	AB2C5D19E20 (1)
Weight, g/mol:	217.170474
ΔH_f, kcal/mol:	-124.03
Dipole, Da:	7.91
IP(EA), eV:	-9.33(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(2-pyridin-2-ylethyl)-1-azoniabicyclo[2.2.2]octane

Drug info:

PubChemData

Smile

CCOC1=CC2=C(C=C1)S(=O)(=O)C3=C(C2=O)C=CC(=C3)C(=NCCN)OC

DOS

IR

Vibrations