Geometry & MOs

Info

ID:	11977
PubChem CID:	125452
Reduced:	OC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-65.61
Dipole, Da:	3.77
IP(EA), eV:	-8.45(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8aS,8bR)-2-methyl-5,5a,7,8,8a,8b,9,10-octahydroindeno[5,4-e][1]benzofuran-6-one

Drug info:

PubChemData

Smile

CC1=CC2=C(O1)CC[C@H]3C2=CCC4[C@H]3CCC4=O

DOS

IR

Vibrations