4-[(3As,4R,7R,8As,8Br)-2-(1,3-Benzodioxol-5-Ylmethyl)-7-Hydroxy-1,3-Dioxodecahydropyrrolo[3,4-A]Pyrrolizin-4-Yl]Benzenecarboximidamide

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Properties Simple | Detailed

Formula C24H24N4O5
IUPAC Name 4-[(3as,4r,5s,7r,8as,8br)-2-(1,3-benzodioxol-5-ylmethyl)-7-hydroxy-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3ah-pyrrolo[3,4-a]pyrrolizin-4-yl]benzamidine
Molecular Mass 448.471 g·mol−1
Heat of Formation -489.7 ± 16.7 kJ·mol−1
Dipole Moment 5.75 ± 1.08 D
Volume 516.25 Å 3
Surface Area 420.26 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy 2.73 ± eV
Point Group Symmetry C1
Synonyms
  • shy
InChIKey CETLUACQMGBMFH-ZALSBGIRSA-N
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