Geometry & MOs

Info

ID:	20827
PubChem CID:	585984
Reduced:	N2O3C20H24 (1)
Stoich.:	A2B3C20D24 (1)
Weight, g/mol:	340.178693
ΔH_f, kcal/mol:	-73.61
Dipole, Da:	4.86
IP(EA), eV:	-8.94(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethenyl-2-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-2-ol

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(C3(CC4CCN3CC4C=C)O)O

DOS

IR

Vibrations