8-(4-{[(2S)-2,3-Dihydro-1,4-Benzodioxin-2-Ylmethyl]Amino}Butyl)-8-Azaspiro[4.5]Decane-7,9-Dione

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Formula C22H30N2O4
IUPAC Name 8-[4-[[(3s)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
Molecular Mass 386.485 g·mol−1
Heat of Formation -687.8 ± 16.7 kJ·mol−1
Dipole Moment 6.21 ± 1.08 D
Volume 477.94 Å 3
Surface Area 422.22 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 3.24 ± eV
Point Group Symmetry C1
Synonyms
  • 8-[4-[[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]butyl]-8-azaspiro[4.5]decane-7,9-dione
  • 8-[4-[[(2s)-2,3-dihydro-1,4-benzodioxin-2-yl]methylamino]butyl]-8-azaspiro[4.5]decane-7,9-quinone
  • pdsp1_000700
  • pdsp1_000701
  • pdsp2_000690
  • pdsp2_000691
  • tocris-0412
InChIKey HCVRCHQFYYZPHT-KRWDZBQOSA-N
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