| Formula |
C24H22ClN5O |
| IUPAC Name |
2-[(1s)-1-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-2-phenyl-ethyl]-4-oxo-pyrimidin-1-ium-3-ide-5-carbonitrile |
| Molecular Mass |
431.917 g·mol−1 |
| Heat of Formation |
232.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
11.35 ± 1.08 D |
| Volume |
513.69 Å 3 |
| Surface Area |
419.06 Å 2 |
| HOMO Energy |
-9.61 ± 0.55 eV |
| LUMO Energy |
-1.20 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
SSQLUPVACAMCTQ-FQEVSTJZSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
N
O
Cl
|
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