(3R)-3-Amino-4-(4-Chlorophenyl)-1-[(3S,4R)-3-(4-Chlorophenyl)-4-(Hydroxymethyl)-1-Pyrrolidinyl]-1-Butanone

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Properties Simple | Detailed

Formula C21H24Cl2N2O2
IUPAC Name (3r)-3-amino-4-(4-chlorophenyl)-1-[(3s,4r)-3-(4-chlorophenyl)-4-(hydroxymethyl)pyrrolidin-1-yl]butan-1-one
Molecular Mass 407.333 g·mol−1
Heat of Formation -313.5 ± 16.7 kJ·mol−1
Dipole Moment 7.38 ± 1.08 D
Volume 480.32 Å 3
Surface Area 416.38 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey ZFSKJGRASNTEBX-NSISKUIASA-N
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Elements H C N O Cl