{(1S,5S)-3-[5-(Aminomethyl)-2-Fluorophenyl]-8-Azabicyclo[3.2.1]Oct-8-Yl}(4-Bromo-3-Methyl-5-Propoxy-2-Thienyl)Methanone

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Properties Simple | Detailed

Formula C23H28BrFN2O2S
IUPAC Name [(1r,5s)-3-[5-(aminomethyl)-2-fluoro-phenyl]-8-azabicyclo[3.2.1]octan-8-yl]-(4-bromo-3-methyl-5-propoxy-2-thienyl)methanone
Molecular Mass 495.448 g·mol−1
Heat of Formation -414.2 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 534.73 Å 3
Surface Area 423.14 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
InChIKey SZKGHXMOYDKXPX-OSYLJGHBSA-N
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Elements C F H O N S Br