(1R,2S,6R,7S)-2,4,6-Trimethyl-10-Oxa-4-Azatricyclo[5.2.1.0~2,6~]Decane-3,5-Dione

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Properties Simple | Detailed

Formula C11H15NO3
IUPAC Name (3ar,4s,7r,7as)-2,3a,7a-trimethyl-4,5,6,7-tetrahydro-octahydro-1h-4,7-epoxyisoindole-1,3-dione
Molecular Mass 209.242 g·mol−1
Heat of Formation -537.9 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 246.11 Å 3
Surface Area 215.78 Å 2
HOMO Energy -10.06 ± 0.55 eV
LUMO Energy 0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4,7-epoxy-1h-isoindole-1,3(2h)-dione, hexahydro-2,3a,7a-trimethyl-, (3aalpha,4beta,7beta,7aalpha)-
  • cantharidin methylimide
  • hexahydro-2,3a,7a-trimethyl-4,7-epoxy-1h-isoindole-1,3(2h)-dione
CAS Number(s)
  • 76970-78-0
InChIKey WUQNOBSCYAIJIH-FIPCFZRWSA-N
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