Geometry & MOs

Info

ID:	4262
PubChem CID:	11069
Reduced:	SN2O6C20H26 (1)
Stoich.:	AB2C6D20E26 (1)
Weight, g/mol:	422.151158
ΔH_f, kcal/mol:	-199.74
Dipole, Da:	6.73
IP(EA), eV:	-8.62(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol;sulfuric acid

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4C=C)O.OS(=O)(=O)O

DOS

IR

Vibrations