(4R,5R)-8-Chloro-4'-Methyl-4-(Methylamino)-3,4-Dihydro-1H,5'H-Spiro[Benzo[Cd]Indole-5,2'-Furan]-5'-One

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Properties Simple | Detailed

Formula C16H15ClN2O2
IUPAC Name (4r,5r)-8-chloro-3'-methyl-4-(methylamino)spiro[3,4-dihydrobenzo[cd]indol-1-ium-5,5'-furan]-2'-one
Molecular Mass 302.756 g·mol−1
Heat of Formation -110.5 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 337.78 Å 3
Surface Area 296.43 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 8-chlororugulovasine b
  • spiro(benz(cd)indole-5(1h),2'(5'h)-furan)-5'-one, 8-chloro-3,4-dihydro-4'-methyl-4-(phenylamino)-, trans-(+-)-
CAS Number(s)
  • 59787-46-1
InChIKey SDYOUVJWVNBXPX-MLGOLLRUSA-N
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DOI
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Elements H C N O Cl