Rimegepant

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Formula C28H30F2N6O3
IUPAC Name [(5r,6s,9r)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5h-cyclohepta[b]pyridin-1-ium-4a-id-9-yl] 4-(2-oxo-6h-imidazo[4,5-b]pyridin-4-ium-6-id-1-yl)piperidine-1-carboxylate
Molecular Mass 536.573 g·mol−1
Heat of Formation -559.1 ± 16.7 kJ·mol−1
Dipole Moment 5.41 ± 1.08 D
Volume 593.45 Å 3
Surface Area 453.75 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy 2.38 ± eV
Point Group Symmetry C1
InChIKey KRNAOFGYEFKHPB-ANJVHQHFSA-N
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