(5S)-5-Methyl-6-(3-Methyl-2-Buten-1-Yl)-4,5,6,7-Tetrahydroimidazo[4,5,1-Jk][1,4]Benzodiazepin-2(1H)-One

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Properties Simple | Detailed

Formula C16H21N3O
IUPAC Name (11s)-11-methyl-10-(3-methylbut-2-enyl)-1,3,10-triazatricyclo[6.4.1.04,13]trideca-4,6,8(13)-trien-2-one
Molecular Mass 271.357 g·mol−1
Heat of Formation -26.4 ± 16.7 kJ·mol−1
Dipole Moment 3.27 ± 1.08 D
Volume 341.15 Å 3
Surface Area 298.32 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-4,5,6,7-tetrahydro-5-(s)-methyl-6-(3-methyl-2-butenyl)imidazo-[4,5,1-jk][1,4]-benzodiazepin- 2(ih)-one
  • r80902
InChIKey LOFKLFWOTPCHJG-LBPRGKRZSA-N
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