6-(1H-Indol-3-Ylmethyl)-3-Isobutyl-5-Methoxy-2(1H)-Pyrazinone 4-Oxide

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Formula C18H21N3O3
IUPAC Name 6-(1h-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1h-pyrazin-4-ium-2-one
Molecular Mass 327.378 g·mol−1
Heat of Formation -172.4 ± 16.7 kJ·mol−1
Dipole Moment 5.32 ± 1.08 D
Volume 396.91 Å 3
Surface Area 341.54 Å 2
HOMO Energy -8.81 ± 0.55 eV
LUMO Energy 2.33 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-pyrazinone, 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-, 4-oxide
  • 6-(1h-indol-3-ylmethyl)-3-isobutyl-5-methoxy-4-oxido-1h-pyrazin-4-ium-2-one
  • 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-2-(1h)-pyrazinone 4-oxide
  • 6-(1h-indol-3-ylmethyl)-5-methoxy-3-(2-methylpropyl)-4-oxido-1h-pyrazin-4-ium-2-one
  • opc 15161
  • opc-15161
CAS Number(s)
  • 121071-92-9
InChIKey AFTLYEDBVFGRNK-UHFFFAOYSA-N
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