4-[3-(Methoxymethyl)Phenyl]-1,2-Dimethyl-5-(6-Quinoxalinyl)-1,2-Dihydro-3H-Pyrazol-3-One

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Formula C21H20N4O2
IUPAC Name 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-pyrazole-1,2-diium-3-one
Molecular Mass 360.409 g·mol−1
Heat of Formation 190.2 ± 16.7 kJ·mol−1
Dipole Moment 3.85 ± 1.08 D
Volume 428.36 Å 3
Surface Area 375.49 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 1.54 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-(6-quinoxalinyl)-3-pyrazolone
  • 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-yl-pyrazol-3-one
  • 4-[3-(methoxymethyl)phenyl]-1,2-dimethyl-5-quinoxalin-6-ylpyrazol-3-one
InChIKey OWJLLMXRMBEWIM-UHFFFAOYSA-N
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