1-Azabicyclo[2.2.2]Oct-3-Yl (4-Bromophenyl)(Hydroxy)2-Thienylacetate

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Properties Simple | Detailed

Formula C19H20BrNO3S
IUPAC Name [(3r)-quinuclidin-3-yl] (2s)-2-(4-bromophenyl)-2-hydroxy-2-(2-thienyl)acetate
Molecular Mass 422.336 g·mol−1
Heat of Formation -294.5 ± 16.7 kJ·mol−1
Dipole Moment 4.36 ± 1.08 D
Volume 440.01 Å 3
Surface Area 355.76 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey JCEPJUVHFGPVHP-QFBILLFUSA-N
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Elements C H O N S Br