[(9S)-6-Chloro-9-Methyl-2,3-Dioxo-2,3,4,9-Tetrahydro-1H-Indeno[1,2-B]Pyrazin-9-Yl]Acetic Acid

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Formula C14H11ClN2O4
IUPAC Name 2-[(9s)-6-chloro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl]acetic acid
Molecular Mass 306.701 g·mol−1
Heat of Formation -569.5 ± 16.7 kJ·mol−1
Dipole Moment 7.42 ± 1.08 D
Volume 330.61 Å 3
Surface Area 281.12 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.21 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(9s)-6-chloro-2,3-diketo-9-methyl-1,4-dihydroindeno[2,3-b]pyrazin-9-yl]acetic acid
  • 2-[(9s)-6-chloro-9-methyl-2,3-dioxo-1,4-dihydroindeno[2,3-b]pyrazin-9-yl]ethanoic acid
InChIKey XNLOOYJBLRHTMX-AWEZNQCLSA-N
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Elements H C N O Cl