2,5,5-Trimethyl-1-Pyrroline N-Oxide

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Properties Simple | Detailed

Formula C7H13NO
IUPAC Name 2,2,5-trimethyl-1-oxido-3,4-dihydropyrrol-1-ium
Molecular Mass 127.184 g·mol−1
Heat of Formation -87.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 174.99 Å 3
Surface Area 171.0 Å 2
HOMO Energy -8.43 ± 0.55 eV
LUMO Energy 3.91 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2,5-trimethyl-1-oxido-1-pyrrolin-1-ium
  • 3,4-dihydro-2,2,5-trimethyl-2h-pyrrole 1-oxide
CAS Number(s)
  • 4567-18-4
InChIKey QGNOEKXMUHRRJA-UHFFFAOYSA-N
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