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

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Properties Simple | Detailed

Formula C26H30N4O3
IUPAC Name 4-[(1r,3as,4r,5s,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
Molecular Mass 446.541 g·mol−1
Heat of Formation -205.7 ± 16.7 kJ·mol−1
Dipole Moment 4.95 ± 1.08 D
Volume 540.94 Å 3
Surface Area 409.76 Å 2
HOMO Energy -8.78 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3as,4r,8as,8br)-4-(2-benzo[1,3]dioxol-5-ylmethyl-1-ethyl-3-oxo-decahydro-pyrrolo[3,4-a]pyrrolizin-4-yl)-benzamidine
  • 4-[(1r,3as,4r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-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-ethyl-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)-1-ethyl-3-oxo-1,3a,4,6,7,8,8a,8b-octahydropyrrolo[3,4-a]pyrrolizin-4-yl]benzenecarboximidamide
  • uip
InChIKey RCAUWWFTOCHSJH-KEXZDOINSA-N
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