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

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Properties Simple | Detailed

Formula C16H19N3
IUPAC Name (1r)-1-(5-phenyl-3-pyridyl)-1,4-diazepane
Molecular Mass 253.342 g·mol−1
Heat of Formation 235.2 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 320.86 Å 3
Surface Area 278.32 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy 2.66 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-phenyl-3-pyridyl)-1,4-diazepane
  • 1-(5-phenylpyridin-3-yl)-1,4-diazepane
InChIKey YAWZOEAWIFAGIV-UHFFFAOYSA-N
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Elements H C N