1-[(1S,2S)-2-Hydroxy-3,3-Dimethyl-6-Nitro-Indan-1-Yl]Pyridin-2-One

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Formula C16H16N2O4
IUPAC Name 1-[(1s,2s)-2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl]-3h-pyridin-1-ium-3-id-2-one
Molecular Mass 300.309 g·mol−1
Heat of Formation -231.7 ± 16.7 kJ·mol−1
Dipole Moment 8.48 ± 1.08 D
Volume 346.31 Å 3
Surface Area 296.36 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy 1.64 ± eV
Point Group Symmetry C1
InChIKey SHLOGJDJUANAKC-LSDHHAIUSA-O
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