(3R,7As)-3-Phenyltetrahydro-5H-Pyrrolo[1,2-C][1,3]Oxazol-5-One

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Formula C12H13NO2
IUPAC Name (3r,7as)-3-phenyl-3,6,7,7a-tetrahydro-1h-pyrrolo[1,2-c]oxazol-5-one
Molecular Mass 203.237 g·mol−1
Heat of Formation -233.8 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 243.2 Å 3
Surface Area 225.29 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy 0.15 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,7as)-3-phenyl-3,6,7,7a-tetrahydro-1h-pyrrolo[1,5-c][1,3]oxazol-5-one
  • (3r,7as)-3-phenyl-3,6,7,7a-tetrahydro-1h-pyrrolo[1,5-c]oxazol-5-one
InChIKey OURKKNDNLSPPQY-CMPLNLGQSA-N
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