4-[(1R,3As,4R,8As,8Br)-2-(1,3-Benzodioxol-5-Ylmethyl)-1-Isopropyl-3-Oxodecahydropyrrolo[3,4-A]Pyrrolizin-4-Yl]Benzenecarboximidamide

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Properties Simple | Detailed

Formula C27H32N4O3
IUPAC Name 4-[(1r,3as,4r,5s,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-1-isopropyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
Molecular Mass 460.568 g·mol−1
Heat of Formation -254.7 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 564.06 Å 3
Surface Area 410.3 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy 2.86 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-isopropyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
  • 4-[(1r,3as,4r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-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-(1,3-benzodioxol-5-ylmethyl)-1-isopropyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
  • 4-[(1r,3as,4r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-3-oxo-1-propan-2-yl-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[4,3-a]pyrrolizin-4-yl]benzenecarboximidamide
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InChIKey TZROHICTGLJYJF-FTSNLURZSA-N
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