8-[(2S)-2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl]-1-Phenyl-1,3,8-Triazaspiro[4.5]Decan-4-One

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Properties Simple | Detailed

Formula C22H25N3O3
IUPAC Name (1r)-8-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular Mass 379.452 g·mol−1
Heat of Formation -219.4 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 447.7 Å 3
Surface Area 378.39 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 3.10 ± eV
Point Group Symmetry C1
Synonyms
  • pdsp1_001648
  • pdsp2_001632
  • tocris-0631
InChIKey JVGBTTIJPBFLTE-SFHVURJKSA-N
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