8-Chloro-3-(3-Fluoropropyl)-5-Phenyl-2,3,4,5-Tetrahydro-1H-3-Benzazepin-7-Ol

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Properties Simple | Detailed

Formula C19H21ClFNO
IUPAC Name (3r,5r)-8-chloro-3-(3-fluoropropyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-ol
Molecular Mass 333.828 g·mol−1
Heat of Formation -249.6 ± 16.7 kJ·mol−1
Dipole Moment 2.21 ± 1.08 D
Volume 394.28 Å 3
Surface Area 343.7 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
InChIKey NYRXKXYDQHJEQC-QGZVFWFLSA-N
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Elements C F H Cl O N