Geometry & MOs

Info

ID:	10171
PubChem CID:	98495
Reduced:	O3C8H8 (1)
Stoich.:	A3B8C8 (1)
Weight, g/mol:	152.047344
ΔH_f, kcal/mol:	-109.27
Dipole, Da:	5.47
IP(EA), eV:	-10.31(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1C=CC[C@H]2[C@@H]1C(=O)OC2=O

DOS

IR

Vibrations