4-[(3As,4R,7R,8As,8Br)-2-(1,3-Benzodioxol-5-Ylmethyl)-7-Hydroxy-1,3-Dioxodecahydropyrrolo[3,4-A]Pyrrolizin-4-Yl]Benzenecarboximidamide
Properties
Property | Value |
---|---|
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 |
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InChIKey | CETLUACQMGBMFH-ZALSBGIRSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |