Geometry & MOs

Info

ID:	9663
PubChem CID:	92119
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-90.67
Dipole, Da:	8.77
IP(EA), eV:	-9.89(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,6aR,9aR,9bR)-6,9a-dimethyl-3-methylidene-3a,4,5,6,6a,9b-hexahydroazuleno[8,7-b]furan-2,9-dione

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@H]([C@]3([C@H]1C=CC3=O)C)OC(=O)C2=C

DOS

IR

Vibrations