Pyrrolo(2,3-D)Pyrimidine

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Properties Simple | Detailed

Formula C6H5N3
IUPAC Name pyrrolo[2,3-d]pyrimidin-7-ium
Molecular Mass 119.124 g·mol−1
Heat of Formation 252.1 ± 16.7 kJ·mol−1
Dipole Moment 3.68 ± 1.08 D
Volume 137.44 Å 3
Surface Area 144.12 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 7h-pyrrolo[2,3-d]pyrimidine
CAS Number(s)
  • 271-70-5
InChIKey JJTNLWSCFYERCK-UHFFFAOYSA-N
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Elements H C N