Geometry & MOs

Info

ID:	20081
PubChem CID:	578927
Reduced:	O3C15H20 (1)
Stoich.:	A3B15C20 (1)
Weight, g/mol:	248.141244
ΔH_f, kcal/mol:	-130.77
Dipole, Da:	7.1
IP(EA), eV:	-9.83(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-hydroxy-5,7,7-trimethyl-3,4,5,8,8a,9-hexahydroazuleno[5,6-c]furan-1-one

Drug info:

PubChemData

Smile

CC1CC2=C(C(C3C1=CC(C3)(C)C)O)C(=O)OC2

DOS

IR

Vibrations