Geometry & MOs

Info

ID:	18826
PubChem CID:	548732
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	180.078644
ΔH_f, kcal/mol:	-29.71
Dipole, Da:	5.02
IP(EA), eV:	-10.0(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5'-methylspiro[bicyclo[2.2.1]hept-2-ene-5,4'-dioxolane]-3'-one

Drug info:

PubChemData

Smile

CC1C2(CC3CC2C=C3)C(=O)OO1

DOS

IR

Vibrations