Geometry & MOs

Info

ID:	159922
PubChem CID:	57298659
Reduced:	SiO2C7H15 (1)
Stoich.:	AB2C7D15 (1)
Weight, g/mol:	288.172545
ΔH_f, kcal/mol:	-119.42
Dipole, Da:	4.27
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753381
Charge, e:	0

Chem-info

IUPAC name:

(3aS,3bR,9aR,9bR,11aS)-9a,11a-dimethyl-3,3a,3b,4,5,8,9,9b,10,11-decahydronaphtho[2,1-e][2]benzofuran-1,7-dione

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)O[Si](C)C

DOS

IR

Vibrations