1-Methyl-5-[(5S)-5-(3,4,5-Trimethoxyphenyl)-4,5-Dihydro-1,3-Oxazol-2-Yl]-1H-Indole

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Properties Simple | Detailed

Formula C21H22N2O4
IUPAC Name (5s)-2-(1-methylindol-1-ium-5-yl)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydrooxazole
Molecular Mass 366.410 g·mol−1
Heat of Formation -275.7 ± 16.7 kJ·mol−1
Dipole Moment 3.12 ± 1.08 D
Volume 430.37 Å 3
Surface Area 383.91 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-[(5s)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,3-oxazol-2-yl]indole
  • 1-methyl-5-[(5s)-5-(3,4,5-trimethoxyphenyl)-4,5-dihydrooxazol-2-yl]indole
InChIKey VVXYHELHUZGLHK-LJQANCHMSA-N
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