2-(3-Methyl-3H-Diaziren-3-Yl)Ethyl 1-[(1R)-1-Phenylethyl]-1H-Imidazole-5-Carboxylate

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Properties Simple | Detailed

Formula C16H18N4O2
IUPAC Name 2-(3-methyldiazirin-3-yl)ethyl 3-[(1r)-1-phenylethyl]imidazol-3-ium-4-ylium-4-carboxylate
Molecular Mass 298.340 g·mol−1
Heat of Formation 204.1 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 364.0 Å 3
Surface Area 285.77 Å 2
HOMO Energy -9.60 ± 0.55 eV
LUMO Energy -0.46 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(3-methyl-1,2-diazirin-3-yl)ethyl 3-[(1r)-1-phenylethyl]imidazole-4-carboxylate
  • 2-(3-methyldiazirin-3-yl)ethyl 3-[(1r)-1-phenylethyl]imidazole-4-carboxylate
  • 3-[(1r)-1-phenylethyl]-4-imidazolecarboxylic acid 2-(3-methyl-3-diazirinyl)ethyl ester
  • 3-[(1r)-1-phenylethyl]imidazole-4-carboxylic acid 2-(3-methyldiazirin-3-yl)ethyl ester
InChIKey DUOHNSBKYJHAMQ-GFCCVEGCSA-N
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