Geometry & MOs

Info

ID:	15459
PubChem CID:	442258
Reduced:	OC5H6 (3)
Stoich.:	AB5C6 (3)
Weight, g/mol:	246.125594
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	5.82
IP(EA), eV:	-9.81(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aR,9aR,9bR)-3a-hydroxy-3,6,9-trimethylidene-5,6a,7,8,9a,9b-hexahydro-4H-azuleno[4,5-b]furan-2-one

Drug info:

PubChemData

Smile

C=C1CC[C@@]2([C@@H]([C@@H]3[C@H]1CCC3=C)OC(=O)C2=C)O

DOS

IR

Vibrations