2-Hydroxy-7-Isopropyl-3,5-Bis(4-Morpholinylmethyl)-2,4,6-Cycloheptatrien-1-One

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Formula C20H30N2O4
IUPAC Name 2-hydroxy-7-isopropyl-3,5-bis(morpholinomethyl)cyclohepta-2,4,6-trien-1-one
Molecular Mass 362.463 g·mol−1
Heat of Formation -531.5 ± 16.7 kJ·mol−1
Dipole Moment 2.14 ± 1.08 D
Volume 460.73 Å 3
Surface Area 374.56 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4,6-cycloheptatrien-1-one, 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-
  • 2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-propan-2-yl-cyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-3,5-bis(morpholin-4-ylmethyl)-7-propan-2-ylcyclohepta-2,4,6-trien-1-one
  • 2-hydroxy-7-isopropyl-3,5-bis(morpholinomethyl)-1-cyclohepta-2,4,6-trienone
  • 3-isopropyl-5,7-dimorpholinomethyltropolone
  • 5,7-bis(morpholinomethyl)-2-hydroxy-3-isopropyl-2,4,6-cycloheptatrien-1-one
InChIKey SCLKVZOWUNRDIX-UHFFFAOYSA-N
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