5-(4-Cyanobenzyl)-N-(4-Fluorophenyl)-7-Hydroxypyrazolo[1,5-A]Pyrimidine-3-Carboxamide

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Formula C21H15FN5O2+
IUPAC Name 5-[(4-cyanophenyl)methyl]-n-(4-fluorophenyl)-7-hydroxy-pyrazolo[1,5-a]pyrimidin-8-ium-3a-ylium-3-carboxamide
Molecular Mass 388.375 g·mol−1
Heat of Formation 95.2 ± 16.7 kJ·mol−1
Dipole Moment 12.71 ± 1.08 D
Volume 437.44 Å 3
Surface Area 364.02 Å 2
HOMO Energy -8.60 ± 0.55 eV
LUMO Energy 1.58 ± eV
Point Group Symmetry C1
InChIKey GVDYBVYAFKPQRT-UHFFFAOYSA-N
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