Geometry & MOs

Info

ID:	7577
PubChem CID:	73440
Reduced:	O3C15H16 (1)
Stoich.:	A3B15C16 (1)
Weight, g/mol:	244.109944
ΔH_f, kcal/mol:	-91.86
Dipole, Da:	8.3
IP(EA), eV:	-9.74(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,9aS,9bS)-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2,7-dione

Drug info:

PubChemData

Smile

CC1=C2[C@@H]([C@@H]3[C@@H](CC1)C(=C)C(=O)O3)C(=CC2=O)C

DOS

IR

Vibrations