2-Amino-6-Bromo-4-Oxo-4,7-Dihydro-1H-Pyrrolo[2,3-D]Pyrimidine-5-Carbonitrile

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Formula C7H10BrN5O
IUPAC Name 2-amino-6-bromo-4-oxo-3,7-dihydropyrrolo[2,3-d]pyrimidine-1,2,4a,5,6,7a-hexaide-5-carbonitrile
Molecular Mass 260.091 g·mol−1
Heat of Formation 169.8 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 218.25 Å 3
Surface Area 213.53 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry Cs
InChIKey ZIMIZZXLWCGECW-UHFFFAOYSA-N
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Elements H C O Br N