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

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Properties Simple | Detailed

Formula C27H34N4O2
IUPAC Name 4-[(1r,3as,4r,5s,8as,8br)-1-isopropyl-2-[(4-methoxyphenyl)methyl]-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
Molecular Mass 446.584 g·mol−1
Heat of Formation -151.0 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 563.94 Å 3
Surface Area 411.62 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 3.23 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(1r,3as,4r,8as,8br)-1-isopropyl-2-[(4-methoxyphenyl)methyl]-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
  • 4-[(1r,3as,4r,8as,8br)-1-isopropyl-3-keto-2-(4-methoxybenzyl)-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
  • 4-[(1r,3as,4r,8as,8br)-2-[(4-methoxyphenyl)methyl]-3-oxo-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[4,3-a]pyrrolizin-4-yl]benzenecarboximidamide
InChIKey XETNTDPUFDNJKX-BDUWWWMKSA-N
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