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

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Formula C14H15N4O
IUPAC Name 2-amino-5-(2-phenylethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 255.295 g·mol−1
Heat of Formation 55.7 ± 16.7 kJ·mol−1
Dipole Moment 4.28 ± 1.08 D
Volume 302.06 Å 3
Surface Area 278.06 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy 2.79 ± eV
Point Group Symmetry C1
InChIKey VTMWWWWMECKQCF-UHFFFAOYSA-P
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