2-(4-Azido-3-Iodophenyl)Ethyl (1R,2S,3S,5S)-3-(4-Chlorophenyl)-8-Methyl-8-Azabicyclo[3.2.1]Octane-2-Carboxylate

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Properties Simple | Detailed

Formula C23H24ClIN4O2
IUPAC Name 2-(4-azido-3-iodo-phenyl)ethyl (1s,3s,4s,5r,8s)-3-(4-chlorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-4-carboxylate
Molecular Mass 550.820 g·mol−1
Heat of Formation 3828.8 ± 16.7 kJ·mol−1
Dipole Moment 17.63 ± 1.08 D
Volume 493.29 Å 3
Surface Area 437.15 Å 2
HOMO Energy -6.67 ± 0.55 eV
LUMO Energy -4.81 ± eV
Point Group Symmetry C1
InChIKey PFEYQHAJVMQAQQ-JZZBYWGLSA-N
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