3-(Cyclopropylcarbonyl)-8-Fluoro-5-Methyl-4,5-Dihydro-6H-Imidazo[1,5-A][1,4]Benzodiazepin-6-One

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Formula C16H14FN3O2
IUPAC Name 3-(cyclopropanecarbonyl)-8-fluoro-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-6-one
Molecular Mass 299.300 g·mol−1
Heat of Formation -154.7 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 338.65 Å 3
Surface Area 300.29 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -1.26 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(cyclopropyl-oxomethyl)-8-fluoro-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-6-one
  • 3-cyclopropylcarbonyl-8-fluoro-5-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-6-one
  • 6h-imidazo(1,5-a)(1,4)benzodiazepin-6-one, 3-(cyclopropylcarbonyl)-8-fluoro-4,5-dihydro-5-methyl-
  • ru 34030
  • ru-34030
CAS Number(s)
  • 122321-07-7
InChIKey SURBTMORCCCDDK-UHFFFAOYSA-N
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