N-Benzyl-1-Ethyl-4-(Tetrahydropyran-4-Ylamino)Pyrazolo[3,4-B]Pyridin-7-Ium-3A-Ide-5-Carboxamide

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Formula C21H26N5O2
IUPAC Name n-benzyl-1-ethyl-4-(tetrahydropyran-4-ylamino)pyrazolo[3,4-b]pyridin-7-ium-3a-ide-5-carboxamide
Molecular Mass 380.463 g·mol−1
Heat of Formation -24.9 ± 16.7 kJ·mol−1
Dipole Moment 3.64 ± 1.08 D
Volume 461.25 Å 3
Surface Area 389.67 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.68 ± eV
Point Group Symmetry C1
InChIKey HREPCDWEQWMNNR-UHFFFAOYSA-O
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