(7As)-7A-(4-Cyanobenzyl)-6-(3,5-Dichlorophenyl)-5-Oxo-2,3,5,7A-Tetrahydro-1H-Pyrrolizine-7-Carbonitrile

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Formula C22H15Cl2N3O
IUPAC Name (8s)-8-[(4-cyanophenyl)methyl]-2-(3,5-dichlorophenyl)-3-oxo-6,7-dihydro-5h-pyrrolizine-1-carbonitrile
Molecular Mass 408.280 g·mol−1
Heat of Formation 271.6 ± 16.7 kJ·mol−1
Dipole Moment 8.30 ± 1.08 D
Volume 454.49 Å 3
Surface Area 354.71 Å 2
HOMO Energy -9.95 ± 0.55 eV
LUMO Energy 1.21 ± eV
Point Group Symmetry C1
Synonyms
  • (8s)-8-(4-cyanobenzyl)-2-(3,5-dichlorophenyl)-3-keto-6,7-dihydro-5h-pyrrolizine-1-carbonitrile
  • (8s)-8-[(4-cyanophenyl)methyl]-2-(3,5-dichlorophenyl)-3-oxo-6,7-dihydro-5h-pyrrolizine-1-carbonitrile
  • 2o7
InChIKey TZCXQSNBTXDAJG-QFIPXVFZSA-N
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Elements H C Cl O N