[(2R)-5-(3,4-Dichlorophenyl)-2-Hydroxy-2,3-Dihydro-1H-Pyrrolizine-6,7-Diyl]Bis(Methylene) Bis(Isopropylcarbamate)

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Properties Simple | Detailed

Formula C23H29Cl2N3O5
IUPAC Name [(6r)-3-(3,4-dichlorophenyl)-6-hydroxy-1-(isopropylcarbamoyloxymethyl)-6,7-dihydro-5h-pyrrolizin-4-ium-8-ylium-2-yl]methyl n-isopropylcarbamate
Molecular Mass 498.399 g·mol−1
Heat of Formation -912.9 ± 16.7 kJ·mol−1
Dipole Moment 3.28 ± 1.08 D
Volume 584.85 Å 3
Surface Area 479.49 Å 2
HOMO Energy -8.88 ± 0.55 eV
LUMO Energy -0.73 ± eV
Point Group Symmetry C1
Synonyms
  • [(6r)-3-(3,4-dichlorophenyl)-6-hydroxy-2-(isopropylcarbamoyloxymethyl)-6,7-dihydro-5h-pyrrolizin-1-yl]methyl n-isopropylcarbamate
  • carbamic acid, (1-methylethyl)-, [5-(3,4-dichlorophenyl)-2,3-dihydro-2-hydroxy-1h-pyrrolizine-6,7-diyl]bis(methylene) ester, (r)-
  • n-isopropylcarbamic acid [(6r)-3-(3,4-dichlorophenyl)-6-hydroxy-2-(isopropylcarbamoyloxymethyl)-6,7-dihydro-5h-pyrrolizin-1-yl]methyl ester
  • n-isopropylcarbamic acid [(6r)-3-(3,4-dichlorophenyl)-6-hydroxy-2-[[(isopropylamino)-oxomethoxy]methyl]-6,7-dihydro-5h-pyrrolizin-1-yl]methyl ester
CAS Number(s)
  • 86422-04-0
InChIKey HFYYIYVYBXADGP-OAHLLOKOSA-N
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