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

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Formula C7H4BrN5O
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 254.044 g·mol−1
Heat of Formation 236.6 ± 16.7 kJ·mol−1
Dipole Moment 12.10 ± 1.08 D
Volume 219.78 Å 3
Surface Area 213.7 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
InChIKey ZIMIZZXLWCGECW-UHFFFAOYSA-N
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Elements H C O Br N