N'-{[3,5-Bis(2-Methyl-2-Propanyl)-4-Oxo-2,5-Cyclohexadien-1-Ylidene]Methyl}-6-Nitro-1,3-Benzodioxole-5-Carbohydrazide

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Properties Simple | Detailed

Formula C23H27N3O6
IUPAC Name n'-[(3,5-ditert-butyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-6-nitro-1,3-benzodioxole-5-carbohydrazide
Molecular Mass 441.477 g·mol−1
Heat of Formation -254.2 ± 16.7 kJ·mol−1
Dipole Moment 5.71 ± 1.08 D
Volume 520.77 Å 3
Surface Area 435.94 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy -2.23 ± eV
Point Group Symmetry C1
Synonyms
  • n'-[(3,5-ditert-butyl-4-keto-1-cyclohexa-2,5-dienylidene)methyl]-6-nitro-1,3-benzodioxole-5-carbohydrazide
  • n'-[(3,5-ditert-butyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-6-nitro-1,3-benzodioxole-5-carbohydrazide
InChIKey YLCSFBMOLIJBHG-UHFFFAOYSA-N
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