Geometry & MOs

Info

ID:	385799
PubChem CID:	134979999
Reduced:	OC4H4 (5)
Stoich.:	AB4C4 (5)
Weight, g/mol:	228.136159
ΔH_f, kcal/mol:	-156.57
Dipole, Da:	3.66
IP(EA), eV:	-8.46(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,4aS,5R,8aR,8bR)-2,2,7-trimethyl-3a,4a,5,6,7,8,8a,8b-octahydro-[1,3]dioxolo[4,5-b][1]benzofuran-5-ol

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)CC(C(=O)CC3=CC=CC=C32)C(=O)OC)OC

DOS

IR

Vibrations