5-Fluoro-8-(4-Fluorophenyl)-9-(1-Methyl-1H-1,2,4-Triazol-5-Yl)-2,7,8,9-Tetrahydro-3H-Pyrido[4,3,2-De]Phthalazin-3-One

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Properties Simple | Detailed

Formula C19H14F2N6O+
IUPAC Name 5-fluoro-8-(4-fluorophenyl)-9-(1-methyl-1h-1,2,4-triazol-5-yl)-2,7,8,9-tetrahydro-3h-pyrido[4,3,2-de]phthalazin-3-one
Molecular Mass 380.351 g·mol−1
Heat of Formation -9.8 ± 16.7 kJ·mol−1
Dipole Moment 4.00 ± 1.08 D
Volume 407.27 Å 3
Surface Area 338.51 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy 1.84 ± eV
Point Group Symmetry C1
InChIKey HWGQMRYQVZSGDQ-HZPDHXFCSA-O
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