1-(3,5-Dimethylphenyl)-1-Oxo-N-(3H-Pyridin-1-Ium-3-Id-4-Ylmethyl)Methanamine Oxide

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Properties Simple | Detailed

Formula C15H18N2O2
IUPAC Name 1-(3,5-dimethylphenyl)-1-oxo-n-(3h-pyridin-1-ium-3-id-4-ylmethyl)methanamine oxide
Molecular Mass 258.316 g·mol−1
Heat of Formation 57.8 ± 16.7 kJ·mol−1
Dipole Moment 5.73 ± 1.08 D
Volume 318.5 Å 3
Surface Area 267.65 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey BISIMDCNCYAPTF-UHFFFAOYSA-N
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