6-[(6S)-2-(4-Fluorophenyl)-6-(Hydroxymethyl)-6,7-Dihydro-5H-Pyrazolo[1,5-A]Pyrimidin-3-Id-3-Yl]-2-(O-Tolyl)-1H-Pyridazin-6-Id-3-One

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Properties Simple | Detailed

Formula C24H24FN5O2
IUPAC Name 6-[(6s)-2-(4-fluorophenyl)-6-(hydroxymethyl)-6,7-dihydro-5h-pyrazolo[1,5-a]pyrimidin-3-id-3-yl]-2-(o-tolyl)-1h-pyridazin-6-id-3-one
Molecular Mass 433.478 g·mol−1
Heat of Formation 101.7 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 502.79 Å 3
Surface Area 390.99 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy 1.51 ± eV
Point Group Symmetry C1
InChIKey JPRZOVZJGDQDNY-BPURVQTLSA-N
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