3-Bromo-7-Oxo-1,7-Dihydropyrazolo[1,5-A]Pyrimidine-6-Carboxylic Acid

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Formula C7H10BrN3O3
IUPAC Name 3-bromo-7-oxo-2,5-dihydro-1h-pyrazolo[1,5-a]pyrimidine-2,3,3a,4,5,6-hexaide-6-carboxylic acid
Molecular Mass 264.077 g·mol−1
Heat of Formation -173.4 ± 16.7 kJ·mol−1
Dipole Moment 6.12 ± 1.08 D
Volume 214.27 Å 3
Surface Area 208.51 Å 2
HOMO Energy -9.36 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
InChIKey QMVUPBFLGDVVAW-UHFFFAOYSA-N
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Elements H C O Br N