8-(3-Nitrophenyl)-6-(4-Pyridinylmethyl)Pyrido[2,3-D]Pyridazin-5(6H)-One

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Properties Simple | Detailed

Formula C19H13N5O3+
IUPAC Name 8-(3-nitrophenyl)-6-(4-pyridylmethyl)pyrido[2,3-d]pyridazin-5-one
Molecular Mass 359.338 g·mol−1
Heat of Formation 342.4 ± 16.7 kJ·mol−1
Dipole Moment 6.85 ± 1.08 D
Volume 398.58 Å 3
Surface Area 352.8 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 8-(3-nitrophenyl)-6-(4-pyridylmethyl)-5-pyrido[3,2-d]pyridazinone
  • 8-(3-nitrophenyl)-6-(4-pyridylmethyl)pyrido[3,2-d]pyridazin-5-one
  • 8-(3-nitrophenyl)-6-(pyridin-4-ylmethyl)pyrido[3,2-d]pyridazin-5-one
InChIKey DYHGFTMEUMYPOC-UHFFFAOYSA-N
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