(2S,3S,4R,5S)-2-(4-Methoxyphenyl)-5-Methyl-3,4-Pyrrolidinediol

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Properties Simple | Detailed

Formula C12H17NO3
IUPAC Name (2s,3s,4r,5s)-2-(4-methoxyphenyl)-5-methyl-pyrrolidine-3,4-diol
Molecular Mass 223.268 g·mol−1
Heat of Formation -464.3 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 273.17 Å 3
Surface Area 250.42 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
InChIKey RMKWLQBEDHKISQ-VKZDFBPFSA-N
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