N-(4-Pyridinyl)-2-(3,4,4-Trimethyl-1,2-Dioxetan-3-Yl)Acetamide

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Properties Simple | Detailed

Formula C12H16N2O3
IUPAC Name n-(4-pyridyl)-2-[(3s)-3,4,4-trimethyldioxetan-3-yl]acetamide
Molecular Mass 236.267 g·mol−1
Heat of Formation -157.1 ± 16.7 kJ·mol−1
Dipole Moment 2.09 ± 1.08 D
Volume 284.51 Å 3
Surface Area 256.5 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
InChIKey XNHJHNYPBHQOSU-LBPRGKRZSA-N
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