(3As,7As)-3-(1-Methyl-5-Nitro-Imidazol-3-Ium-5-Id-2-Yl)-3A,4,5,6,7,7A-Hexahydro-1,2-Benzoxazole

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Formula C11H15N4O3
IUPAC Name (3as,7as)-3-(1-methyl-5-nitro-imidazol-3-ium-5-id-2-yl)-3a,4,5,6,7,7a-hexahydro-1,2-benzoxazole
Molecular Mass 251.262 g·mol−1
Heat of Formation 102.0 ± 16.7 kJ·mol−1
Dipole Moment 5.25 ± 1.08 D
Volume 282.25 Å 3
Surface Area 252.6 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy 1.68 ± eV
Point Group Symmetry C1
InChIKey VTZQBXCSRVMSOW-SFYZADRCSA-N
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