Geometry & MOs

Info

ID:	408366
PubChem CID:	135081132
Reduced:	ClO2H11C14 (1)
Stoich.:	AB2C11D14 (1)
Weight, g/mol:	220.109944
ΔH_f, kcal/mol:	-26.68
Dipole, Da:	4.55
IP(EA), eV:	-9.57(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6S,6aS)-6-methyl-3,3a,4,5,6,6a,7,9b-octahydroazuleno[4,5-b]furan-2,8-dione

Drug info:

PubChemData

Smile

C1C(C2C=C(C1C(=O)C2=O)Cl)C3=CC=CC=C3

DOS

IR

Vibrations