(2S)-2-Phenyl-9-[(2E)-3-Phenyl-2-Propenoyl]-1,5,9-Triazacyclotridecan-4-One

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Properties Simple | Detailed

Formula C25H31N3O2
IUPAC Name (2s)-2-phenyl-9-[(e)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
Molecular Mass 405.533 g·mol−1
Heat of Formation -182.2 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 516.72 Å 3
Surface Area 419.8 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-2-phenyl-9-[(e)-3-phenylacryloyl]-1,5,9-triazacyclotridecan-4-one
  • (2s)-2-phenyl-9-[(e)-3-phenylprop-2-enoyl]-1,5,9-triazacyclotridecan-4-one
  • (2s)-9-[(e)-1-oxo-3-phenylprop-2-enyl]-2-phenyl-1,5,9-triazacyclotridecan-4-one
  • 1,5,9-triazacyclotridecan-4-one, 9-(1-oxo-3-phenyl-2-propenyl)-2-phenyl-, (s-(e))-
CAS Number(s)
  • 53938-05-9
InChIKey OROFOUPCOTVAJQ-NSFRLNINSA-N
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