Phenyl (1S,2S,3S,5S)-3-[4-(~123~I)Iodophenyl]-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate
Properties
Property | Value |
---|---|
Formula | C21H22INO2 |
IUPAC Name | phenyl (1s,3s,4s,5r,8s)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate |
Molecular Mass | 447.309 g·mol−1 |
Heat of Formation | -84.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 5.13 ± 1.08 D |
Volume | 439.51 Å 3 |
Surface Area | 339.0 Å 2 |
HOMO Energy | -8.69 ± 0.55 eV |
LUMO Energy | 2.84 ± eV |
Point Group Symmetry | C1 |
InChIKey | YGQAUDOSACJSSX-NBYUQASBSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | I H C O N |