Geometry & MOs

Info

ID:	82191
PubChem CID:	49855741
Reduced:	O4C23H32 (1)
Stoich.:	A4B23C32 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-39.78
Dipole, Da:	5.2
IP(EA), eV:	-9.52(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5R)-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)[C@]34CC(=O)C[C@](O3)(C=C4)CCCC=C)CC=C

DOS

IR

Vibrations