(4R,5R)-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 C16H16N2O2
IUPAC Name (4r,5r)-3'-methyl-4-(methylamino)spiro[3,4-dihydrobenzo[cd]indol-1-ium-5,5'-furan]-2'-one
Molecular Mass 268.310 g·mol−1
Heat of Formation -75.7 ± 16.7 kJ·mol−1
Dipole Moment 4.97 ± 1.08 D
Volume 314.97 Å 3
Surface Area 279.1 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
Synonyms
  • rugulovasine b
  • spiro(benz(cd)indole-5(1h),2'(5'h)-furan)-5'-one, 3,4-dihydro-4'-methyl-4-(methylamino)-, (2'r,4r)-rel-
  • spiro(benz(cd)indole-5(1h),2'(5'h)-furan)-5'-one, 3,4-dihydro-4'-methyl-4-(methylamino)-, trans-(+-)-
CAS Number(s)
  • 26909-34-2
InChIKey QTWQJTORJVFWAQ-CZUORRHYSA-N
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