(2S,3S,4R,5S)-2-(1H-Benzimidazol-2-Yl)-5-Methyl-3,4-Pyrrolidinediol

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Formula C12H15N3O2
IUPAC Name (2s,3s,4r,5s)-2-(benzimidazol-1-ium-2-yl)-5-methyl-pyrrolidine-3,4-diol
Molecular Mass 233.266 g·mol−1
Heat of Formation -184.6 ± 16.7 kJ·mol−1
Dipole Moment 1.29 ± 1.08 D
Volume 274.76 Å 3
Surface Area 253.06 Å 2
HOMO Energy -9.18 ± 0.55 eV
LUMO Energy 2.62 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methyl-pyrrolidine-3,4-diol
  • (2s,3s,4r,5s)-2-(1h-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol
InChIKey WKDUAKZZRFRSAE-HCPDIIQCSA-N
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