2-[5-[[[(3R,4R)-4-Bromotetrahydropyran-3-Yl]Amino]Methyl]-2-Nitro-4H-Imidazol-3-Ium-4-Ylium-3-Yl]Ethanol
Properties
Property | Value |
---|---|
Formula | C11H17BrN4O4 |
IUPAC Name | 2-[4-[[[(3r,4r)-4-bromotetrahydropyran-3-yl]amino]methyl]-2-nitro-imidazol-1-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 |
QR Code | Generate QR Code |
Links | PubChem |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O Br N |