4-Amino-1-Pentofuranosyl-1H-Pyrazolo[3,4-D]Pyrimidine-3-Carboxamide

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Properties Simple | Detailed

Formula C11H14N6O5
IUPAC Name (e)-[4-cyano-2-[3,4-dioxo-5-(oxomethylene)tetrahydrofuran-2-yl]-5-isocyanato-4h-pyrazol-3-ylidene]cyanamide
Molecular Mass 310.266 g·mol−1
Heat of Formation 686.3 ± 16.7 kJ·mol−1
Dipole Moment 12.69 ± 1.08 D
Volume 301.15 Å 3
Surface Area 285.16 Å 2
HOMO Energy -9.74 ± 0.55 eV
LUMO Energy -3.36 ± eV
Point Group Symmetry Cs
InChIKey SIZLYHVFGJCQJB-LZBJJOGQSA-N
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