1-(5-Ethoxy-3-Pyridinyl)-1,4-Diazepane

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Properties Simple | Detailed

Formula C12H19N3O
IUPAC Name (1r)-1-(5-ethoxy-3-pyridyl)-1,4-diazepane
Molecular Mass 221.299 g·mol−1
Heat of Formation -31.9 ± 16.7 kJ·mol−1
Dipole Moment 2.66 ± 1.08 D
Volume 278.9 Å 3
Surface Area 256.26 Å 2
HOMO Energy -8.36 ± 0.55 eV
LUMO Energy -0.10 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-ethoxy-3-pyridyl)-1,4-diazepane
  • 1-(5-ethoxypyridin-3-yl)-1,4-diazepane
InChIKey RQXFSCANOMMTFZ-UHFFFAOYSA-N
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