Dinaciclib

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Formula C21H28N6O2
IUPAC Name 2-[(2s)-1-[3-ethyl-7-[(1-oxidopiperidine-2,3,4,5,6-pentaid-3-yl)methylamino]pyrazolo[1,5-a]pyrimidin-8-ium-5-ylium-5-yl]-2-piperidyl]ethanol
Molecular Mass 396.486 g·mol−1
Heat of Formation 139.8 ± 16.7 kJ·mol−1
Dipole Moment 4.09 ± 1.08 D
Volume 482.93 Å 3
Surface Area 422.23 Å 2
HOMO Energy -8.17 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey PIMQWRZWLQKKBJ-SFHVURJKSA-N
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