N-{Trans-4-[2-(6-Cyano-3,4-Dihydro-2(1H)-Isoquinolinyl)Ethyl]Cyclohexyl}-4-Quinolinecarboxamide

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Formula C28H31N4O
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 439.572 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
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