4-[5-(4-Phenoxyphenyl)-1H-Pyrazol-3-Yl]Morpholine

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Properties Simple | Detailed

Formula C19H19N3O2
IUPAC Name 4-[5-(4-phenoxyphenyl)-4h-pyrazol-1-ium-4-id-3-yl]morpholine
Molecular Mass 321.373 g·mol−1
Heat of Formation 108.4 ± 16.7 kJ·mol−1
Dipole Moment 2.88 ± 1.08 D
Volume 380.61 Å 3
Surface Area 348.62 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • cd 12001
  • oprea1_565067
  • sr-01000644303-1
InChIKey WQWBZRVAFAMASC-UHFFFAOYSA-N
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