(2S,3As,7As)-Octahydro-1H-Indole-2-Carboxylic Acid

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Formula C9H15NO2
IUPAC Name (2s,3as,7as)-2,3,3a,4,5,6,7,7a-octahydro-1h-indol-1-ium-2-carboxylate
Molecular Mass 169.221 g·mol−1
Heat of Formation -425.4 ± 16.7 kJ·mol−1
Dipole Moment 2.83 ± 1.08 D
Volume 211.99 Å 3
Surface Area 194.97 Å 2
HOMO Energy -9.22 ± 0.55 eV
LUMO Energy 4.06 ± eV
Point Group Symmetry C1
Synonyms
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InChIKey CQYBNXGHMBNGCG-FXQIFTODSA-N
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