3,4,5,6-Tetradehydrospartein-2-One

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Formula C15H20N2O
IUPAC Name 3,4,5,6-tetradehydrospartein-2-one
Molecular Mass 244.332 g·mol−1
Heat of Formation -129.1 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 298.87 Å 3
Surface Area 258.02 Å 2
HOMO Energy -8.44 ± 0.55 eV
LUMO Energy 0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-thermopsine
  • 7,14-methano-4h,6h-dipyrido(1,2-a:1',2'-e)(1,5)diazocin-4-one, 7,7a,8,9,10,11,13,14-octahydro-, (7s-(7a,7aalpha,14alpha))-
CAS Number(s)
  • 53584-33-1
InChIKey FQEQMASDZFXSJI-AVGNSLFASA-N
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