Geometry & MOs

Info

ID:	82190
PubChem CID:	49855739
Reduced:	O3C20H28 (1)
Stoich.:	A3B20C28 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-102.16
Dipole, Da:	2.16
IP(EA), eV:	-8.7(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,5S)-1-[(8R,9S)-9-methyl-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonan-8-yl]-5-pent-4-enyl-8-oxabicyclo[3.2.1]oct-6-en-3-one

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CCC12OCCO2)C3=CC=C(O3)CCCC=C)CC=C

DOS

IR

Vibrations