Caulibugulone A

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Properties Simple | Detailed

Formula C10H8N2O2
IUPAC Name 7-(methylamino)isoquinoline-5,8-dione
Molecular Mass 188.183 g·mol−1
Heat of Formation -70.8 ± 16.7 kJ·mol−1
Dipole Moment 3.96 ± 1.08 D
Volume 211.96 Å 3
Surface Area 205.43 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.75 ± eV
Point Group Symmetry Cs
Synonyms
  • 7-methylaminoisoquinoline-5,8-dione
  • 7-methylaminoisoquinoline-5,8-quinone
  • cailbugulone a
InChIKey PETJKYHAQBWMDY-UHFFFAOYSA-N
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