3-[(1S,2R,3R)-2-(1H-Indol-3-Ylmethyl)-6-Isopropylidene-2,3-Dimethylcyclohexyl]Propanoic Acid

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Formula C23H31NO2
IUPAC Name 3-[(1s,2r,3r)-2-(2h-indol-1-ium-2-ylium-3-ylmethyl)-6-isopropylidene-2,3-dimethyl-cyclohexyl]propanoic acid
Molecular Mass 353.498 g·mol−1
Heat of Formation -409.3 ± 16.7 kJ·mol−1
Dipole Moment 1.87 ± 1.08 D
Volume 461.39 Å 3
Surface Area 356.83 Å 2
HOMO Energy -8.38 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey GVPCTDRGYRLXLX-AYPBNUJASA-N
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