| Formula |
C28H30N4O |
| IUPAC Name |
n-[4-[2-[(2r)-6-cyano-3,4-dihydro-1h-isoquinolin-2-yl]ethyl]cyclohexyl]quinolin-1-ium-4a-ide-4-carboxamide |
| Molecular Mass |
438.564 g·mol−1 |
| Heat of Formation |
166.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.59 ± 1.08 D |
| Volume |
550.44 Å 3 |
| Surface Area |
417.99 Å 2 |
| HOMO Energy |
-9.01 ± 0.55 eV |
| LUMO Energy |
1.90 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
OLWRVVHPJFLNPW-RZJSWYKGSA-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
O
N
|
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