4-{[(1R,2S)-1,2-Dihydroxy-2-Methyl-3-(4-Nitrophenoxy)Propyl]Amino}-2-(Trifluoromethyl)Benzonitrile

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Formula C18H16F3N3O5
IUPAC Name 4-[[(1r,2s)-1,2-dihydroxy-2-methyl-3-(4-nitrophenoxy)propyl]amino]-2-(trifluoromethyl)benzonitrile
Molecular Mass 411.332 g·mol−1
Heat of Formation -952.1 ± 16.7 kJ·mol−1
Dipole Moment 12.70 ± 1.08 D
Volume 443.72 Å 3
Surface Area 391.81 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 1.69 ± eV
Point Group Symmetry C1
InChIKey INVUBEGZQHQAMY-SJORKVTESA-N
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