| Formula |
C21H29ClFN3O2++ |
| IUPAC Name |
[(1s)-3-(2-azaniumylethylamino)-1-methyl-3-oxo-propyl]-[(1r)-1-(4-chloro-2-fluoro-3-phenoxy-phenyl)propyl]ammonium |
| Molecular Mass |
409.925 g·mol−1 |
| Heat of Formation |
-430.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
10.77 ± 1.08 D |
| Volume |
494.8 Å 3 |
| Surface Area |
362.1 Å 2 |
| HOMO Energy |
-6.34 ± 0.55 eV |
| LUMO Energy |
2.94 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
MPOXTYMLTZWDMB-KBXCAEBGSA-P |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
C
F
H
Cl
O
N
|
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