Geometry & MOs

Info

ID:	3959
PubChem CID:	10499
Reduced:	O4C15H18 (1)
Stoich.:	A4B15C18 (1)
Weight, g/mol:	262.120509
ΔH_f, kcal/mol:	-133.42
Dipole, Da:	9.75
IP(EA), eV:	-9.99(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations