6-[(6R)-2-(4-Fluorophenyl)-6-(Hydroxymethyl)-6,7-Dihydro-5H-Pyrazolo[1,5-A]Pyrimidine-1,2,3-Triid-3-Yl]-2-(O-Tolyl)Pyridazin-1-Ium-3-One

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Properties Simple | Detailed

Formula C24H25FN5O2++
IUPAC Name 6-[(6r)-2-(4-fluorophenyl)-6-(hydroxymethyl)-6,7-dihydro-5h-pyrazolo[1,5-a]pyrimidine-1,2,3-triid-3-yl]-2-(o-tolyl)-4h-pyridazine-1,2-diium-4-id-3-one
Molecular Mass 434.486 g·mol−1
Heat of Formation 95.8 ± 16.7 kJ·mol−1
Dipole Moment 2.20 ± 1.08 D
Volume 494.52 Å 3
Surface Area 410.09 Å 2
HOMO Energy -8.18 ± 0.55 eV
LUMO Energy -1.82 ± eV
Point Group Symmetry C1
InChIKey JPRZOVZJGDQDNY-ZUTUBDCJSA-N
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