(5R)-9-Chloro-5-Methyl-6-(3-Methylbut-2-En-1-Yl)-4,5,6,7-Tetrahydroimidazo[4,5,1-Jk][1,4]Benzodiazepin-2-Ol

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Properties Simple | Detailed

Formula C16H20ClN3O
IUPAC Name (11r)-6-chloro-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 305.803 g·mol−1
Heat of Formation -94.6 ± 16.7 kJ·mol−1
Dipole Moment 0.90 ± 1.08 D
Volume 365.43 Å 3
Surface Area 294.5 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.52 ± eV
Point Group Symmetry C1
Synonyms
  • imidazo(4,5,1-jk)(1,4)benzodiazepin-2(1h)-one, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (r)-
  • imidazo[4,5,1-jk][1,4]benzodiazepin-2(1h)-one, 9-chloro-4,5,6,7-tetrahydro-5-methyl-6-(3-methyl-2-butenyl)-, (r)-
  • r-(-)-4,5,6,7-tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo(4,5,1-jk)(1,4)-benzodiazepin-2(1h)-one
  • r-(-)-4,5,6,7-tetrahydro-9-chloro-5-methyl-6-(3-methyl-2-butenyl)-imidazo[4,5,1-jk][1,4]-benzodiazepin-2(1h)-one
CAS Number(s)
  • 136722-73-1
InChIKey FRCNLKVXRALXMC-LLVKDONJSA-N
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