2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-8-Yl 3-(3H-Indol-3-Yl)Alaninate

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Formula C16H12N6O4
IUPAC Name 2-[9-[(4z,6z,8z)-2,3-dihydro-1h-azonine-3-carbonyl]-2,6-dioxo-purine-1,3,7-triium-8-yl]oxyacetonitrile
Molecular Mass 352.304 g·mol−1
Heat of Formation 1840.3 ± 16.7 kJ·mol−1
Dipole Moment 12.82 ± 1.08 D
Volume 361.15 Å 3
Surface Area 311.68 Å 2
HOMO Energy -10.15 ± 0.55 eV
LUMO Energy -3.87 ± eV
Point Group Symmetry C1
InChIKey XJRPGCBTEMRPMB-IONNQARKSA-N
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