(2S,5S)-5-(Hydroxymethyl)-2-Isopropyl-1-Methyl-9-Octyl-1,2,4,5,6,8-Hexahydro-3H-[1,4]Diazonino[7,6,5-Cd]Indol-3-One

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Properties Simple | Detailed

Formula C25H39N3O2
IUPAC Name (2s,5s)-5-(hydroxymethyl)-2-isopropyl-1-methyl-9-octyl-1,2,4,5,6,8-hexahydro-3h-[1,4]diazonino[7,6,5-cd]indol-3-one
Molecular Mass 413.596 g·mol−1
Heat of Formation -415.6 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 546.11 Å 3
Surface Area 457.92 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy -0.26 ± eV
Point Group Symmetry C1
Synonyms
  • (−)-7-octylindolactam v
  • 3h-pyrrolo(4,3,2-gh)-1,4-benzodiazonin-3-one, 1,2,4,5,6,8-hexahydro-5-(hydroxymethyl)-1-methyl-2-(1-methylethyl)-9-octyl-, (2s-(2r*,5r*))-
  • 7-octylindolactam v
  • pdsp1_001379
  • pdsp2_001363
CAS Number(s)
  • 109346-66-9
InChIKey SUQYTYOVPXAUGB-RDPSFJRHSA-N
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