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

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Formula C14H10N6O
IUPAC Name 2,4-diamino-6-(3-formylphenyl)-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular Mass 278.269 g·mol−1
Heat of Formation 313.1 ± 16.7 kJ·mol−1
Dipole Moment 3.71 ± 1.08 D
Volume 313.07 Å 3
Surface Area 290.39 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.42 ± eV
Point Group Symmetry C1
InChIKey GUABVUFADFGUJA-UHFFFAOYSA-O
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