Geometry & MOs

Info

ID:	7843
PubChem CID:	74330
Reduced:	O3C9H10 (1)
Stoich.:	A3B9C10 (1)
Weight, g/mol:	166.062994
ΔH_f, kcal/mol:	-121.38
Dipole, Da:	5.91
IP(EA), eV:	-10.03(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,7aR)-5-methyl-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione

Drug info:

PubChemData

Smile

CC1=CC[C@@H]2[C@H](C1)C(=O)OC2=O

DOS

IR

Vibrations