2,2-Dimethyl-5-Phenyl-3,4-Dihydro-2H-Pyrrole 1-Oxide

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Properties Simple | Detailed

Formula C12H16NO+
IUPAC Name 2,2-dimethyl-1-oxido-5-phenyl-3,4-dihydropyrrol-1-ium
Molecular Mass 190.262 g·mol−1
Heat of Formation 45.9 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 243.39 Å 3
Surface Area 226.68 Å 2
HOMO Energy -8.30 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2,2-dimethyl-1-oxido-5-phenyl-1-pyrrolin-1-ium
  • 2-phenyl-dmpo
  • 2h-pyrrole, 3,4-dihydro-2,2-dimethyl-5-phenyl-, 1-oxide
  • 3,4-dihydro-2,2-dimethyl-5-phenyl-2h-pyrrole 1-oxide
  • 5,5-dimethyl-2-phenyl-1-pyrroline-n-oxide
CAS Number(s)
  • 58134-17-1
InChIKey WNWSBJPGOXENQE-UHFFFAOYSA-N
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