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
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Synonyms
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- 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
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InChIKey |
YLCSFBMOLIJBHG-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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