4-Iodopyrazole

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Properties Simple | Detailed

Formula C3H3IN2
IUPAC Name 4-iodopyrazol-1-ium-2-ide
Molecular Mass 193.974 g·mol−1
Heat of Formation 260.4 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 123.63 Å 3
Surface Area 133.85 Å 2
HOMO Energy -8.79 ± 0.55 eV
LUMO Energy -0.24 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrazole, 4-iodo-
  • 4-iodo-1h-pyrazole
  • bb_sc-4601
  • bm019
  • pyrazole, 4-iodo
  • pyz
  • sfthcqvilimkp@
CAS Number(s)
  • 3469-69-0
InChIKey LLNQWPTUJJYTTE-UHFFFAOYSA-N
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DOI
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