Geometry & MOs

Info

ID:	10317
PubChem CID:	100332
Reduced:	O3C11H16 (1)
Stoich.:	A3B11C16 (1)
Weight, g/mol:	196.109944
ΔH_f, kcal/mol:	-140.71
Dipole, Da:	7.61
IP(EA), eV:	-10.58(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6S,7aR)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one

Drug info:

PubChemData

Smile

C[C@@]12C[C@H](CC(C1=CC(=O)O2)(C)C)O

DOS

IR

Vibrations