4-[(2,6-Difluorobenzoyl)Amino]-N-[(3S)-3-Piperidinyl]-1H-Pyrazole-3-Carboxamide

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Formula C16H17F2N5O2
IUPAC Name 4-[(2,6-difluorobenzoyl)amino]-n-[(3s)-3-piperidyl]pyrazol-1-ium-2-ide-3-carboxamide
Molecular Mass 349.335 g·mol−1
Heat of Formation -468.3 ± 16.7 kJ·mol−1
Dipole Moment 1.76 ± 1.08 D
Volume 385.27 Å 3
Surface Area 350.88 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.13 ± eV
Point Group Symmetry C1
InChIKey KOMNQBZWMCFDTQ-VIFPVBQESA-N
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