6-[(1S,3S,4S)-4-Methyl-1-(5H-Pyrimidine-1,3-Diium-5-Id-2-Ylmethyl)Pyrrolidin-3-Yl]-1-Tetrahydropyran-4-Yl-Pyrazolo[3,4-D]Pyrimidine-1,2,5,7-Tetraium-4-One

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Formula C20H26N7O2
IUPAC Name 6-[(1s,3s,4s)-4-methyl-1-(5h-pyrimidine-1,3-diium-5-id-2-ylmethyl)pyrrolidin-3-yl]-1-tetrahydropyran-4-yl-pyrazolo[3,4-d]pyrimidine-1,2,5,7-tetraium-4-one
Molecular Mass 396.466 g·mol−1
Heat of Formation 183.6 ± 16.7 kJ·mol−1
Dipole Moment 7.70 ± 1.08 D
Volume 484.01 Å 3
Surface Area 377.55 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey JUKDHTYPCXEZSO-PBNGENHCSA-O
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