5-Nitro-2-[(2S)-2-Phenylchroman-6-Yl]Oxy-Pyridin-1-Ium-5-Ide

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Properties Simple | Detailed

Formula C20H17N2O4
IUPAC Name 5-nitro-2-[(2s)-2-phenylchroman-6-yl]oxy-pyridin-1-ium-5-ide
Molecular Mass 349.360 g·mol−1
Heat of Formation -21.3 ± 16.7 kJ·mol−1
Dipole Moment 5.80 ± 1.08 D
Volume 396.84 Å 3
Surface Area 358.54 Å 2
HOMO Energy -9.10 ± 0.55 eV
LUMO Energy 2.63 ± eV
Point Group Symmetry C1
InChIKey KIRAQAXLFRLNDY-SFHVURJKSA-N
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