Geometry & MOs

Info

ID:	10149
PubChem CID:	98168
Reduced:	O4C15H22 (1)
Stoich.:	A4B15C22 (1)
Weight, g/mol:	266.151809
ΔH_f, kcal/mol:	-173.67
Dipole, Da:	4.24
IP(EA), eV:	-10.37(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,8-dihydroxy-5,8a-dimethyl-1-methylidene-4,5,5a,6,7,8,9,9a-octahydro-3aH-azuleno[6,5-b]furan-2-one

Drug info:

PubChemData

Smile

CC1CC2C(CC3(C1C(CC3O)O)C)C(=C)C(=O)O2

DOS

IR

Vibrations