4-Hydroxy-3-[(1R)-1-(4-Nitrophenyl)-3-Oxo-Butyl]Chromen-2-One

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Formula C19H15NO6
IUPAC Name 4-hydroxy-3-[(1r)-1-(4-nitrophenyl)-3-oxo-butyl]chromen-2-one
Molecular Mass 353.325 g·mol−1
Heat of Formation -487.6 ± 16.7 kJ·mol−1
Dipole Moment 11.14 ± 1.08 D
Volume 391.28 Å 3
Surface Area 343.84 Å 2
HOMO Energy -9.83 ± 0.55 eV
LUMO Energy 2.46 ± eV
Point Group Symmetry C1
InChIKey ZNNILVZOYNUXFB-OAHLLOKOSA-O
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