(3S)-3-Hydroxy-1-Methyl-5-Oxo-3,5-Dihydro-2H-Indolium-6-Olate

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Properties Simple | Detailed

Formula C9H9NO3
IUPAC Name (1r,3s)-3-hydroxy-1-methyl-2,3-dihydroindole-5,6-dione
Molecular Mass 179.173 g·mol−1
Heat of Formation -273.0 ± 16.7 kJ·mol−1
Dipole Moment 9.56 ± 1.08 D
Volume 203.8 Å 3
Surface Area 197.76 Å 2
HOMO Energy -9.04 ± 0.55 eV
LUMO Energy -1.44 ± eV
Point Group Symmetry C1
InChIKey RPHLQSHHTJORHI-SECBINFHSA-N
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