Geometry & MOs

Info

ID:	177353
PubChem CID:	76172554
Reduced:	O4C19H24 (1)
Stoich.:	A4B19C24 (1)
Weight, g/mol:	326.100168
ΔH_f, kcal/mol:	-161.7
Dipole, Da:	3.44
IP(EA), eV:	-9.27(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 3'-hydroxy-7'-oxospiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-2-ene]-2',4'-dicarboxylate

Drug info:

PubChemData

Smile

CCCCC1CC(=C(C2C1C3=CC=CC=C3O2)O)C(=O)OCC

DOS

IR

Vibrations