Geometry & MOs

Info

ID:	1762
PubChem CID:	5009
Reduced:	NO2C21H25 (1)
Stoich.:	AB2C21D25 (1)
Weight, g/mol:	323.188529
ΔH_f, kcal/mol:	-40.31
Dipole, Da:	4.94
IP(EA), eV:	-8.64(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-ethenyl-2-bicyclo[2.2.2]octanyl)-(6-methoxyquinolin-4-yl)methanol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCC3CC4C=C)O

DOS

IR

Vibrations