5H-Pyrrolo(3,2-D)Pyrimidine

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Properties Simple | Detailed

Formula C6H5N3
IUPAC Name pyrrolo[3,2-d]pyrimidin-5-ium
Molecular Mass 119.124 g·mol−1
Heat of Formation 267.0 ± 16.7 kJ·mol−1
Dipole Moment 5.16 ± 1.08 D
Volume 137.46 Å 3
Surface Area 144.16 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 2.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 5h-pyrrolo[3,2-d]pyrimidine
InChIKey KDOPAZIWBAHVJB-UHFFFAOYSA-N
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Elements H C N