| Formula |
C17H16ClN5O3 |
| IUPAC Name |
1-[5-chloro-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-3-(5-cyanopyrazine-1,4-diium-2-yl)urea |
| Molecular Mass |
373.794 g·mol−1 |
| Heat of Formation |
-58.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.36 ± 1.08 D |
| Volume |
420.61 Å 3 |
| Surface Area |
359.74 Å 2 |
| HOMO Energy |
-9.21 ± 0.55 eV |
| LUMO Energy |
-1.78 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-[5-chloro-2-[(3-methyl-3-oxetanyl)methoxy]phenyl]-3-(5-cyano-2-pyrazinyl)urea
|
| InChIKey |
PCXWBHWJIHAPAY-UHFFFAOYSA-N |
| QR Code |
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| Links |
PubChem
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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