N-[4-(4-Amino-7-Cyclopentyl-7H-Pyrrolo[2,3-D]Pyrimidin-5-Yl)Phenyl]Benzamide

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Formula C24H23N5O
IUPAC Name n-[4-(4-amino-7-cyclopentyl-6h-pyrrolo[2,3-d]pyrimidin-7-ium-6-ylium-5-yl)phenyl]benzamide
Molecular Mass 397.472 g·mol−1
Heat of Formation 195.9 ± 16.7 kJ·mol−1
Dipole Moment 5.57 ± 1.08 D
Volume 473.87 Å 3
Surface Area 418.43 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey BKBPVPSOVVEBLR-UHFFFAOYSA-N
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