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

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Formula C18H14BrN4O
IUPAC Name 2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydropyrrolo[2,3-d]pyrimidin-1-ium-4a-id-4-one
Molecular Mass 382.234 g·mol−1
Heat of Formation 211.2 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 380.82 Å 3
Surface Area 332.23 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.02 ± eV
Point Group Symmetry C1
InChIKey DDHSUMFXWQZAHE-UHFFFAOYSA-P
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Elements H C Br O N