Geometry & MOs

Info

ID:	48865
PubChem CID:	11528414
Reduced:	OC3H4 (3)
Stoich.:	AB3C4 (3)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	-131.68
Dipole, Da:	8.58
IP(EA), eV:	-9.64(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,5R,7aS)-3a,5-dimethyl-3,4,5,6,7,7a-hexahydro-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C1CC2CCOC2=C(C1)C(=O)O

DOS

IR

Vibrations