2-[(2S)-2-Heptanyl]-4,6-Dinitrophenol

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Formula C13H18N2O5
IUPAC Name 2-[(1s)-1-methylhexyl]-4,6-dinitro-phenol
Molecular Mass 282.292 g·mol−1
Heat of Formation -275.7 ± 16.7 kJ·mol−1
Dipole Moment 4.85 ± 1.08 D
Volume 338.91 Å 3
Surface Area 309.43 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
InChIKey RROCMCBQTUYDSD-VIFPVBQESA-N
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