(3R)-5-(2-Fluorophenyl)-3-(1H-Indol-3-Ylmethyl)-1-Methyl-1,3-Dihydro-2H-1,4-Benzodiazepin-2-One

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Properties Simple | Detailed

Formula C25H20FN3O
IUPAC Name (3r)-5-(2-fluorophenyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3h-1,4-benzodiazepin-2-one
Molecular Mass 397.444 g·mol−1
Heat of Formation 101.8 ± 16.7 kJ·mol−1
Dipole Moment 5.81 ± 1.08 D
Volume 465.69 Å 3
Surface Area 392.53 Å 2
HOMO Energy -8.20 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
Synonyms
  • (3r)-5-(2-fluorophenyl)-3-(1h-indol-3-ylmethyl)-1-methyl-3h-1,4-benzodiazepin-2-one
  • r-l3
InChIKey CGBANSGENFERAT-JOCHJYFZSA-N
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