Geometry & MOs

Info

ID:	389108
PubChem CID:	134991173
Reduced:	CuC3O3 (1)
Stoich.:	AB3C3 (1)
Weight, g/mol:	427.214744
ΔH_f, kcal/mol:	15.5
Dipole, Da:	0.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.756570
Charge, e:	0

Chem-info

IUPAC name:

[(R)-[(2S,4S,5R)-5-ethenyl-2-bicyclo[2.2.2]octanyl]-(6-methoxyquinolin-4-yl)methyl] benzoate

Drug info:

PubChemData

Smile

[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cu+]

DOS

IR

Vibrations