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

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Properties Simple | Detailed

Formula C8H14N4O4
IUPAC Name [3-(2-hydroxyethynylamino)-2-oxo-propyl]-methylidyne-ammonium; methylidyne(nitromethyl)ammonium
Molecular Mass 230.221 g·mol−1
Heat of Formation 1123.7 ± 16.7 kJ·mol−1
Dipole Moment 2.92 ± 1.08 D
Volume 226.92 Å 3
Surface Area 230.94 Å 2
HOMO Energy -9.99 ± 0.55 eV
LUMO Energy -3.70 ± eV
Point Group Symmetry C1
InChIKey QTQYNIHOQCATOC-ZETCQYMHSA-N
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