1-[1-(4-Methylphenyl)-2(1H)-Isoquinolinyl]-1-(1-Piperidinyl)Ethanol

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Properties Simple | Detailed

Formula C23H28N2O
IUPAC Name (1s)-1-(1-piperidyl)-1-[(1s,2r)-1-(p-tolyl)-1h-isoquinolin-2-yl]ethanol
Molecular Mass 348.481 g·mol−1
Heat of Formation -30.7 ± 16.7 kJ·mol−1
Dipole Moment 2.73 ± 1.08 D
Volume 441.99 Å 3
Surface Area 360.66 Å 2
HOMO Energy -7.75 ± 0.55 eV
LUMO Energy 0.16 ± eV
Point Group Symmetry C1
InChIKey JWWGRCCJMFEKJE-GOTSBHOMSA-N
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