2-[5-[[[(3R,4R)-4-Bromotetrahydropyran-3-Yl]Amino]Methyl]-2-Nitro-4H-Imidazol-3-Ium-4-Ylium-3-Yl]Ethanol

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Properties Simple | Detailed

Formula C11H17BrN4O4
IUPAC Name 2-[5-[[[(3r,4r)-4-bromotetrahydropyran-3-yl]amino]methyl]-2-nitro-4h-imidazol-3-ium-4-ylium-3-yl]ethanol
Molecular Mass 349.181 g·mol−1
Heat of Formation -226.3 ± 16.7 kJ·mol−1
Dipole Moment 3.55 ± 1.08 D
Volume 345.57 Å 3
Surface Area 303.8 Å 2
HOMO Energy -9.66 ± 0.55 eV
LUMO Energy -1.20 ± eV
Point Group Symmetry C1
InChIKey BIDFYLVHYAXEJS-NXEZZACHSA-N
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Elements H C O Br N