4-[(2E)-3-{[2-(Dimethylamino)Ethoxy]Amino}-3-(2-Fluorophenyl)-2-Propen-1-Ylidene]-2,5-Cyclohexadien-1-One

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Formula C19H21FN2O2
IUPAC Name 4-[(e)-3-[2-(dimethylamino)ethoxyamino]-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one
Molecular Mass 328.381 g·mol−1
Heat of Formation -62.8 ± 16.7 kJ·mol−1
Dipole Moment 6.93 ± 1.08 D
Volume 406.03 Å 3
Surface Area 366.04 Å 2
HOMO Energy -8.54 ± 0.55 eV
LUMO Energy -1.39 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-3-(2-dimethylaminoethoxyamino)-3-(2-fluorophenyl)prop-2-enylidene]-1-cyclohexa-2,5-dienone
  • 4-[(e)-3-(2-dimethylaminoethoxyamino)-3-(2-fluorophenyl)prop-2-enylidene]cyclohexa-2,5-dien-1-one
  • ls-172058
InChIKey SCCRXWFKHMCECA-XDHOZWIPSA-N
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