(3R)-3-Amino-1-[(8R)-8-Methyl-2-(Trifluoromethyl)-5,6-Dihydro[1,2,4]Triazolo[1,5-A]Pyrazin-7(8H)-Yl]-4-(2,4,5-Trifluorophenyl)-1-Butanone

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Formula C17H17F6N5O
IUPAC Name (3r)-3-amino-1-[(8r)-8-methyl-2-(trifluoromethyl)-6,8-dihydro-5h-[1,2,4]triazolo[1,5-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
Molecular Mass 421.340 g·mol−1
Heat of Formation -1080.3 ± 16.7 kJ·mol−1
Dipole Moment 5.68 ± 1.08 D
Volume 439.4 Å 3
Surface Area 387.49 Å 2
HOMO Energy -9.85 ± 0.55 eV
LUMO Energy 2.03 ± eV
Point Group Symmetry C1
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InChIKey FDEXEPZGMKFCTG-PSASIEDQSA-N
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