2-{[3-(2H-Tetrazol-5-Ylmethyl)Phenoxy]Methyl}Quinoline

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Properties Simple | Detailed

Formula C18H15N5O
IUPAC Name 2-[[3-(2h-tetrazol-5-ylmethyl)phenoxy]methyl]quinoline
Molecular Mass 317.345 g·mol−1
Heat of Formation 450.6 ± 16.7 kJ·mol−1
Dipole Moment 3.09 ± 1.08 D
Volume 370.08 Å 3
Surface Area 341.99 Å 2
HOMO Energy -9.14 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
Synonyms
  • 2-((3-(1h-tetrazol-5-ylmethyl)phenoxyl)methyl)quinoline
  • 2-[[3-(2h-1,2,3,4-tetrazol-5-ylmethyl)phenoxy]methyl]quinoline
  • quinoline, 2-((3-(1h-tetrazol-5-ylmethyl)phenoxy)methyl)-
  • wy 49451
  • wy-49,451
CAS Number(s)
  • 123724-12-9
InChIKey PQCFEOVZOWBTSB-UHFFFAOYSA-N
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