3-Nitro-1H-Pyrrole

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Properties Simple | Detailed

Formula C4H4N2O2
IUPAC Name 3-nitro-1h-pyrrole
Molecular Mass 112.087 g·mol−1
Heat of Formation 83.8 ± 16.7 kJ·mol−1
Dipole Moment 7.17 ± 1.08 D
Volume 120.84 Å 3
Surface Area 133.31 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 2.36 ± eV
Point Group Symmetry Cs
Synonyms
  • 1h-pyrrole, 3-nitro-
  • 3-nitropyrrole
CAS Number(s)
  • 5930-94-9
InChIKey LOJNBPNACKZWAI-UHFFFAOYSA-N
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