Geometry & MOs

Info

ID:	83225
PubChem CID:	49857308
Reduced:	SiO2C23H46 (1)
Stoich.:	AB2C23D46 (1)
Weight, g/mol:	380.311057
ΔH_f, kcal/mol:	-229.48
Dipole, Da:	2.35
IP(EA), eV:	-8.73(1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aR,7aR)-1-[(2S,6S)-6-[tert-butyl(dimethyl)silyl]oxyheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Drug info:

PubChemData

Smile

C[C@@H](CCC[C@H](C)O[Si](C)(C)C(C)(C)C)[C@H]1CC[C@@H]2[C@@]1(CCC[C@@H]2O)C

DOS

IR

Vibrations