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

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Formula C16H15N6
IUPAC Name 2,4-diamino-6-[(e)-2-(p-tolyl)vinyl]-7h-pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-ide-5-carbonitrile
Molecular Mass 291.331 g·mol−1
Heat of Formation 445.4 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 342.8 Å 3
Surface Area 322.22 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 0.96 ± eV
Point Group Symmetry C1
InChIKey GLTFAKRWNCSEKE-VOTSOKGWSA-O
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Elements H C N