Geometry & MOs

Info

ID:	82189
PubChem CID:	49855738
Reduced:	OC9H12 (2)
Stoich.:	AB9C12 (2)
Weight, g/mol:	316.203845
ΔH_f, kcal/mol:	-53.74
Dipole, Da:	2.95
IP(EA), eV:	-9.05(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8R,9S)-9-methyl-8-(5-pent-4-enylfuran-2-yl)-9-prop-2-enyl-1,4-dioxaspiro[4.4]nonane

Drug info:

PubChemData

Smile

C[C@@]1([C@@H](CCC1=O)C2=CC=C(O2)CCCC=C)CC=C

DOS

IR

Vibrations