1-(3-Isoquinolinyl)Ethanone

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Properties Simple | Detailed

Formula C11H9NO
IUPAC Name 1-(3-isoquinolyl)ethanone
Molecular Mass 171.195 g·mol−1
Heat of Formation 29.2 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 207.23 Å 3
Surface Area 203.77 Å 2
HOMO Energy -9.51 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-isoquinolin-3-ylethanone
InChIKey NLMXNLJJYMMQIF-UHFFFAOYSA-N
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DOI
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