2-[(3As,7Ar)-2-Amino-3A-(2,4-Difluorophenyl)-3A,6,7,7A-Tetrahydro[1,3]Oxazolo[4,5-C]Pyridin-5(4H)-Yl]Nicotinonitrile

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Formula C18H15F2N5O
IUPAC Name 2-[(3as,7ar)-2-amino-3a-(2,4-difluorophenyl)-4,6,7,7a-tetrahydrooxazolo[4,5-c]pyridin-5-yl]pyridine-3-carbonitrile
Molecular Mass 355.341 g·mol−1
Heat of Formation -81.9 ± 16.7 kJ·mol−1
Dipole Moment 5.88 ± 1.08 D
Volume 388.76 Å 3
Surface Area 321.05 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy -0.57 ± eV
Point Group Symmetry C1
InChIKey UKQSZNNDBLMQNX-CRAIPNDOSA-N
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