1-[(2-Hydroxyethyl)Amino]-3-(2-Nitro-1H-Imidazol-1-Yl)-2-Propanol

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Properties Simple | Detailed

Formula C8H14N4O4
IUPAC Name (2s)-1-(2-hydroxyethylamino)-3-(2-nitro-4h-imidazol-1-ium-4-id-3-yl)propan-2-ol
Molecular Mass 230.221 g·mol−1
Heat of Formation -215.5 ± 16.7 kJ·mol−1
Dipole Moment 4.84 ± 1.08 D
Volume 268.34 Å 3
Surface Area 254.8 Å 2
HOMO Energy -9.44 ± 0.55 eV
LUMO Energy 1.76 ± eV
Point Group Symmetry C1
InChIKey QTQYNIHOQCATOC-SSDOTTSWSA-N
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