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

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Formula C16H14N6
IUPAC Name 2,4-diamino-6-[(e)-2-(p-tolyl)vinyl]-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
Molecular Mass 290.323 g·mol−1
Heat of Formation 3086.0 ± 16.7 kJ·mol−1
Dipole Moment 9.80 ± 1.08 D
Volume 313.83 Å 3
Surface Area 301.4 Å 2
HOMO Energy -9.38 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
InChIKey GLTFAKRWNCSEKE-VOTSOKGWSA-O
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Elements C N