1-(3,5-Dimethyl-1H-Pyrazol-4-Yl)Ethanone

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Properties Simple | Detailed

Formula C7H10N2O
IUPAC Name 1-(3,5-dimethylpyrazol-1-ium-2-id-4-yl)ethanone
Molecular Mass 138.167 g·mol−1
Heat of Formation -76.6 ± 16.7 kJ·mol−1
Dipole Moment 5.39 ± 1.08 D
Volume 173.86 Å 3
Surface Area 172.91 Å 2
HOMO Energy -9.79 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry Cs
Synonyms
  • ac-907/25004718
CAS Number(s)
  • 1123-48-4
InChIKey XVFAWYIDDRHPNV-UHFFFAOYSA-N
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