5-[3-(Benzyloxy)Phenyl]-7-[Trans-3-(1-Pyrrolidinylmethyl)Cyclobutyl]-7H-Pyrrolo[2,3-D]Pyrimidin-4-Amine

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Formula C28H32N5O
IUPAC Name 5-[3-(phenylmethoxy)phenyl]-7-[3-(pyrrolidin-1-ylmethyl)cyclobutyl]pyrrolo[2,3-d]pyrimidine-1,3-diium-4a-id-4-amine
Molecular Mass 454.587 g·mol−1
Heat of Formation 274.0 ± 16.7 kJ·mol−1
Dipole Moment 3.44 ± 1.08 D
Volume 559.58 Å 3
Surface Area 487.55 Å 2
HOMO Energy -8.34 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
InChIKey LSFLAQVDISHMNB-AFARHQOCSA-N
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