(1-Methyl-2,5-Diphenyl-1H-Pyrrole-3,4-Diyl)Dimethanediyl Bis(Methylcarbamate)

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Properties Simple | Detailed

Formula C23H25N3O4
IUPAC Name [1-methyl-4-(methylcarbamoyloxymethyl)-2,5-diphenyl-pyrrol-1-ium-5-ylium-3-yl]methyl n-methylcarbamate
Molecular Mass 407.462 g·mol−1
Heat of Formation -449.5 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 498.31 Å 3
Surface Area 434.75 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 1-methyl-2,5-diphenyl-3,4-bis(hydroxymethyl)pyrrole bis(n-methylcarbamate)
  • 1h-pyrrole-3,4-dimethanol, 1-methyl-2,5-diphenyl-, bis(methylcarbamate) (ester)
  • [1-methyl-4-(methylcarbamoyloxymethyl)-2,5-di(phenyl)pyrrol-3-yl]methyl n-methylcarbamate
  • n-methylcarbamic acid [1-methyl-4-(methylcarbamoyloxymethyl)-2,5-di(phenyl)-3-pyrrolyl]methyl ester
  • n-methylcarbamic acid [1-methyl-4-(methylcarbamoyloxymethyl)-2,5-di(phenyl)pyrrol-3-yl]methyl ester
CAS Number(s)
  • 72572-62-4
InChIKey ZDDDGAXQARZPDM-UHFFFAOYSA-N
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