1-Hydroxy-6-(2-Hydroxy-2-Butanyl)-3-Isobutyl-2(1H)-Pyrazinone

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Formula C12H20N2O3
IUPAC Name 1-hydroxy-6-[(1r)-1-hydroxy-1-methyl-propyl]-3-isobutyl-pyrazin-2-one
Molecular Mass 240.299 g·mol−1
Heat of Formation -446.1 ± 16.7 kJ·mol−1
Dipole Moment 2.69 ± 1.08 D
Volume 302.98 Å 3
Surface Area 265.66 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy -0.70 ± eV
Point Group Symmetry C1
InChIKey ARNQMQXMJRUMRP-GFCCVEGCSA-N
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