2-Amino-6-Phenyl-5-(2-Phenylethyl)-3,7-Dihydropyrrolo[2,3-D]Pyrimidin-1-Ium-4A-Id-4-One

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Formula C20H19N4O
IUPAC Name 2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 331.391 g·mol−1
Heat of Formation 145.1 ± 16.7 kJ·mol−1
Dipole Moment 4.10 ± 1.08 D
Volume 398.88 Å 3
Surface Area 345.57 Å 2
HOMO Energy -8.37 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
InChIKey KTTJUJILQCOPTM-UHFFFAOYSA-P
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