4-[(1R,3As,4R,8As,8Br)-2-(4-Chlorobenzyl)-1-Isopropyl-3-Oxodecahydropyrrolo[3,4-A]Pyrrolizin-4-Yl]Benzenecarboximidamide

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Formula C26H31ClN4O
IUPAC Name 4-[(1r,3as,4r,5s,8as,8br)-2-[(4-chlorophenyl)methyl]-1-isopropyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
Molecular Mass 451.004 g·mol−1
Heat of Formation -41.0 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 549.7 Å 3
Surface Area 393.1 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 2.81 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,3as,4r,8as,8br)-2-(4-chlorobenzyl)-1-isopropyl-3-keto-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
  • 4-[(1r,3as,4r,8as,8br)-2-[(4-chlorophenyl)methyl]-1-isopropyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
InChIKey LVAIBFBNGXNDPW-NLPWIYRPSA-N
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