(2S,12Bs)-1',3'-Dimethyl-1,3,4,5',6,6',7,12B-Octahydro-1'H-Spiro[1-Benzofuro[2,3-A]Quinolizine-2,4'-Pyrimidin]-2'(3'H)-One

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Formula C20H25N3O2
IUPAC Name (2s,5r,12bs)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydrobenzofuro[2,3-a]quinolizine-2,4'-hexahydropyrimidine]-2'-one
Molecular Mass 339.431 g·mol−1
Heat of Formation -133.8 ± 16.7 kJ·mol−1
Dipole Moment 5.63 ± 1.08 D
Volume 405.76 Å 3
Surface Area 345.2 Å 2
HOMO Energy -8.72 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,12bs)-1',3'-dimethyl-2'-spiro[1,3,4,6,7,12b-hexahydrobenzofurano[3,2-h]quinolizine-2,4'-hexahydropyrimidine]one
  • (2s,12bs)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydro-[1]benzoxolo[3,2-h]quinolizine-2,4'-1,3-diazinane]-2'-one
  • (2s,12bs)-1',3'-dimethylspiro[1,3,4,6,7,12b-hexahydrobenzofurano[3,2-h]quinolizine-2,4'-hexahydropyrimidine]-2'-one
InChIKey JRDUBBHIPPPSLP-OXJNMPFZSA-N
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