2-Amino-6-(3-Formylphenyl)-4-(1-Pyrrolidinyl)-7H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Formula C18H17N6O
IUPAC Name 2-amino-6-(3-formylphenyl)-4-pyrrolidin-1-yl-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbonitrile
Molecular Mass 333.367 g·mol−1
Heat of Formation 320.3 ± 16.7 kJ·mol−1
Dipole Moment 5.10 ± 1.08 D
Volume 384.9 Å 3
Surface Area 343.88 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.31 ± eV
Point Group Symmetry C1
InChIKey YJUYKLYWYFTFQN-UHFFFAOYSA-O
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