(2Xi)-2,6-Anhydro-1-Deoxy-1-[3-(4-Nitrophenyl)Triaz-1-En-1-Yl]-D-Manno-Heptitol

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Properties Simple | Detailed

Formula C13H18N4O7
IUPAC Name 2-(hydroxymethyl)-6-[(4-nitroanilino)azomethyl]tetrahydropyran-3,4,5-triol
Molecular Mass 342.305 g·mol−1
Heat of Formation 1081.7 ± 16.7 kJ·mol−1
Dipole Moment 4.89 ± 1.08 D
Volume 324.24 Å 3
Surface Area 318.92 Å 2
HOMO Energy -10.31 ± 0.55 eV
LUMO Energy -3.04 ± eV
Point Group Symmetry C1
InChIKey YPSDUJLVLCITNC-ZOLYEBIHSA-N
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