1-(7H-Purin-6-Yl)-N-[3-(Trifluoromethyl)Phenyl]-4-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C18H17F3N6O
IUPAC Name 1-(2h-purin-9-ium-2-ylium-6-yl)-n-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
Molecular Mass 390.362 g·mol−1
Heat of Formation -488.5 ± 16.7 kJ·mol−1
Dipole Moment 5.49 ± 1.08 D
Volume 420.98 Å 3
Surface Area 373.84 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.30 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(7h-purin-6-yl)-n-[3-(trifluoromethyl)phenyl]isonipecotamide
InChIKey RSRHDIYCQIWTON-UHFFFAOYSA-N
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