6-Bromo-7-Methyl-Purin-7-Ium

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Properties Simple | Detailed

Formula C6H5BrN4
IUPAC Name 6-bromo-7-methyl-purin-7-ium
Molecular Mass 213.035 g·mol−1
Heat of Formation 329.3 ± 16.7 kJ·mol−1
Dipole Moment 6.34 ± 1.08 D
Volume 184.3 Å 3
Surface Area 179.73 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy -1.53 ± eV
Point Group Symmetry Cs
Synonyms
  • 6-bromo-7-methyl-purine
InChIKey PGSOWMMUOJWDST-UHFFFAOYSA-N
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Elements H C Br N