| Formula |
C26H25ClN5O+ |
| IUPAC Name |
2-[(1s)-1-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-2-phenyl-ethyl]-3h-pyrido[4,3-d]pyrimidin-1-ium-4-one |
| Molecular Mass |
458.963 g·mol−1 |
| Heat of Formation |
183.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.76 ± 1.08 D |
| Volume |
538.07 Å 3 |
| Surface Area |
438.8 Å 2 |
| HOMO Energy |
-9.53 ± 0.55 eV |
| LUMO Energy |
1.93 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
DQYKHJYAOKSEPD-QFIPXVFZSA-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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