(2R,3S)-3-(4-Chlorophenyl)-4-Methyl-2-(3-Phenoxyphenyl)Pentanenitrile

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Properties Simple | Detailed

Formula C24H22ClNO
IUPAC Name (2s,3r)-3-(4-chlorophenyl)-4-methyl-2-(3-phenoxyphenyl)pentanenitrile
Molecular Mass 375.891 g·mol−1
Heat of Formation 134.2 ± 16.7 kJ·mol−1
Dipole Moment 4.96 ± 1.08 D
Volume 469.03 Å 3
Surface Area 382.74 Å 2
HOMO Energy -9.27 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey XTIPCTXNTSRYDV-RPWUZVMVSA-N
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Elements H C N O Cl