N-Methoxy-3-(3,5-Di-Tert-Butyl-4-Hydroxybenzylidene)-2-Pyrrolidone

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Properties Simple | Detailed

Formula C20H29NO3
IUPAC Name (3z)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-1-methoxy-pyrrolidin-2-one
Molecular Mass 331.449 g·mol−1
Heat of Formation -423.8 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 431.64 Å 3
Surface Area 361.14 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy 2.87 ± eV
Point Group Symmetry C1
Synonyms
  • (3z)-3-(3,5-ditert-butyl-4-hydroxy-benzylidene)-1-methoxy-2-pyrrolidone
  • (3z)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]-1-methoxy-pyrrolidin-2-one
  • (3z)-3-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylidene]-1-methoxy-pyrrolidin-2-one
  • (3z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylene]-1-methoxy-2-pyrrolidinone
  • (3z)-3-[(3,5-ditert-butyl-4-hydroxyphenyl)methylidene]-1-methoxypyrrolidin-2-one
  • e-5110
InChIKey NJTQENWDJVHUOX-UVTDQMKNSA-N
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