1-Ethyl-3-Hydroxy-2-[(1R)-1-Hydroxyethyl]Pyridin-1-Ium-3-Ylium-4-One

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Properties Simple | Detailed

Formula C9H18NO3+
IUPAC Name 1-ethyl-3-hydroxy-2-[(1r)-1-hydroxyethyl]piperidine-2,3,5,6-tetraid-4-one
Molecular Mass 188.244 g·mol−1
Heat of Formation -462.5 ± 16.7 kJ·mol−1
Dipole Moment 8.81 ± 1.08 D
Volume 222.06 Å 3
Surface Area 206.79 Å 2
HOMO Energy -8.29 ± 0.55 eV
LUMO Energy 3.04 ± eV
Point Group Symmetry C1
InChIKey ULJRRPDEJVKXAQ-KXNKJCORSA-O
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