4-(4,5-Dihydro-1,2-Oxazol-3-Yloxy)-N,N,N-Trimethyl-2-Butyn-1-Aminium

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Properties Simple | Detailed

Formula C10H17N2O2+
IUPAC Name 4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethylazanium
Molecular Mass 197.254 g·mol−1
Heat of Formation 2067.4 ± 16.7 kJ·mol−1
Dipole Moment 0.97 ± 1.08 D
Volume 219.86 Å 3
Surface Area 231.5 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -2.67 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(4,5-dihydro-1,2-oxazol-3-yloxy)but-2-ynyl-trimethyl-azanium
  • 4-(4,5-dihydroisoxazol-3-yloxy)but-2-ynyl-trimethyl-ammonium
  • 4-(4,5-dihydroisoxazol-3-yloxy)but-2-ynyl-trimethylammonium
InChIKey WXXOCGISBCTWPW-UHFFFAOYSA-N
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