7-Tert-Butyl-3-(2,5-Difluorophenyl)-6-[(1-Methyl-1H-1,2,4-Triazol-5-Yl)Methoxy][1,2,4]Triazolo[4,3-B]Pyridazine

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Properties Simple | Detailed

Formula C19H19F2N7O
IUPAC Name 7-tert-butyl-3-(2,5-difluorophenyl)-6-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-[1,2,4]triazolo[4,3-b]pyridazine
Molecular Mass 399.397 g·mol−1
Heat of Formation 118.2 ± 16.7 kJ·mol−1
Dipole Moment 5.54 ± 1.08 D
Volume 456.13 Å 3
Surface Area 387.53 Å 2
HOMO Energy -9.67 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
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InChIKey BQDUNOMMYOKHEP-UHFFFAOYSA-N
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