(3R,4S)-4-(4-Methoxyphenyl)-2-Oxo-1-[(2R)-2-Pyrrolidinylmethyl]-6-(Trifluoromethyl)-2,3,4,5-Tetrahydro-1H-1-Benzazepin-3-Yl Acetate

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Properties Simple | Detailed

Formula C25H27F3N2O4
IUPAC Name [(3s,4r)-4-(4-methoxyphenyl)-2-oxo-1-[[(2r)-pyrrolidin-2-yl]methyl]-6-(trifluoromethyl)-4,5-dihydro-3h-1-benzazepin-3-yl] acetate
Molecular Mass 476.488 g·mol−1
Heat of Formation -1210.0 ± 16.7 kJ·mol−1
Dipole Moment 2.91 ± 1.08 D
Volume 538.29 Å 3
Surface Area 430.53 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey LMMFNPFUDYQJEK-BOCKYXSRSA-N
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