3-(Hydroxymethyl)-1-Methyl-5-[(2R)-2-Methyl-1-Aziridinyl]-2-Phenyl-1H-Indole-4,7-Dione

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Formula C19H18N2O3
IUPAC Name 3-(hydroxymethyl)-1-methyl-5-[(1s,2r)-2-methylaziridin-1-yl]-2-phenyl-indol-1-ium-3-ide-4,7-dione
Molecular Mass 322.358 g·mol−1
Heat of Formation -92.6 ± 16.7 kJ·mol−1
Dipole Moment 4.50 ± 1.08 D
Volume 379.38 Å 3
Surface Area 329.62 Å 2
HOMO Energy -9.25 ± 0.55 eV
LUMO Energy 1.53 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-5-[(2r)-2-methylethylenimin-1-yl]-3-methylol-2-phenyl-indole-4,7-quinone
  • 3-(hydroxymethyl)-1-methyl-5-(2-methylaziridin-1-yl)-2-phenyl-1h-indole-4,7-dione
  • 3-(hydroxymethyl)-1-methyl-5-[(2r)-2-methyl-1-aziridinyl]-2-phenylindole-4,7-dione
  • 3-(hydroxymethyl)-1-methyl-5-[(2r)-2-methylaziridin-1-yl]-2-phenyl-indole-4,7-dione
  • 3-(hydroxymethyl)-1-methyl-5-[(2r)-2-methylaziridin-1-yl]-2-phenylindole-4,7-dione
  • arh
  • arh019
InChIKey RQFCSAVLOHDQNB-ZIFPNCEFSA-N
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