Geometry & MOs

Info

ID:	326318
PubChem CID:	126687325
Reduced:	O3C10H16 (1)
Stoich.:	A3B10C16 (1)
Weight, g/mol:	226.120509
ΔH_f, kcal/mol:	-151.39
Dipole, Da:	5.77
IP(EA), eV:	-10.18(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,3aR,6R,7aR)-3,6-dimethyl-2-oxo-3a,4,5,6,7,7a-hexahydro-1-benzofuran-3-yl] acetate

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@@H]2[C@@H](C1)OC(=O)C2(C)O

DOS

IR

Vibrations