(4S)-4-Butyl-1-(4-Hydroxyphenyl)-2-Phenyl-3,5-Pyrazolidinedione

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Properties Simple | Detailed

Formula C19H20N2O3
IUPAC Name (4s)-4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione
Molecular Mass 324.374 g·mol−1
Heat of Formation -267.3 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 392.8 Å 3
Surface Area 335.31 Å 2
HOMO Energy -8.73 ± 0.55 eV
LUMO Energy -0.13 ± eV
Point Group Symmetry C1
Synonyms
  • (4s)-4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-dione
  • (4s)-4-butyl-1-(4-hydroxyphenyl)-2-phenyl-pyrazolidine-3,5-quinone
  • (4s)-4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
  • 4-butyl-1-(4-hydroxyphenyl)-2-phenylpyrazolidine-3,5-dione
  • opb
InChIKey HFHZKZSRXITVMK-KRWDZBQOSA-N
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