7-[Trans-4-(4-Methyl-1-Piperazinyl)Cyclohexyl]-5-(4-Phenoxyphenyl)-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Formula C29H34N6O
IUPAC Name 7-[4-(4-methylpiperazin-1-yl)cyclohexyl]-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-7-ium-5-id-4-amine
Molecular Mass 482.620 g·mol−1
Heat of Formation 243.5 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 592.47 Å 3
Surface Area 501.83 Å 2
HOMO Energy -8.45 ± 0.55 eV
LUMO Energy 2.65 ± eV
Point Group Symmetry C1
InChIKey FDVSOQRNTAPCHB-YHBQERECSA-N
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