Pyrido[4,3-D]Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C7H6N3O+
IUPAC Name pyrido[4,3-d]pyrimidin-1-ium-3-id-4-one
Molecular Mass 148.142 g·mol−1
Heat of Formation 74.7 ± 16.7 kJ·mol−1
Dipole Moment 7.43 ± 1.08 D
Volume 161.28 Å 3
Surface Area 162.93 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy 1.88 ± eV
Point Group Symmetry Cs
Synonyms
  • pyrido[4,3-d]pyrimidin-4(3h)-one
  • pyrido[4,3-d]pyrimidin-4-ol
InChIKey RADMRAMXLLLVGG-UHFFFAOYSA-N
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