Pseudopteroxazole

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Formula C21H27NO
IUPAC Name (1s,3ar,4s,6s)-1,4,7-trimethyl-6-(2-methylprop-1-enyl)-2,3,3a,4,5,6-hexahydro-1h-phenaleno[2,1-d]oxazole
Molecular Mass 309.445 g·mol−1
Heat of Formation -122.0 ± 16.7 kJ·mol−1
Dipole Moment 2.68 ± 1.08 D
Volume 400.96 Å 3
Surface Area 331.83 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (1s,3ar,4s,6r)-1,4,7-trimethyl-6-(2-methyl-propenyl)-2,3,3a,4,5,6-hexahydro-1h-10-oxa-8-aza-cyclopenta[a]phenalene
InChIKey HTRVXIUUWGLCAT-WMHQRMGPSA-N
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