3-(Nitromethyl)-1-Nitroso-1H-Indole

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Properties Simple | Detailed

Formula C9H7N3O3
IUPAC Name 3-(nitromethyl)-1-nitroso-indol-1-ium
Molecular Mass 205.170 g·mol−1
Heat of Formation 203.7 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 224.63 Å 3
Surface Area 215.68 Å 2
HOMO Energy -9.48 ± 0.55 eV
LUMO Energy -1.48 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole, 3-(nitromethyl)-1-nitroso-
  • 3-(nitromethyl)-1-nitroso-indole
  • 3-(nitromethyl)-1-nitrosoindole
  • n(1)-nitroso-3-nitromethylindole
  • nnnmi
CAS Number(s)
  • 99208-91-0
InChIKey YSDDQRUOEFOQBD-UHFFFAOYSA-N
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