Geometry & MOs

Info

ID:	48093
PubChem CID:	10537119
Reduced:	O3C13H20 (1)
Stoich.:	A3B13C20 (1)
Weight, g/mol:	224.141244
ΔH_f, kcal/mol:	-148.78
Dipole, Da:	2.76
IP(EA), eV:	-10.17(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4'aS,9'aS)-spiro[1,3-dioxolane-2,5'-3,4,4a,6,7,8,9,9a-octahydro-1H-benzo[7]annulene]-2'-one

Drug info:

PubChemData

Smile

CCCCCC1(CC(=O)CCC1=O)C(=O)C

DOS

IR

Vibrations