5-{3-[2-(1,3-Dihydroxy-2-Propanyl)-5-Methyl-1,2,3,4-Tetrahydro-6-Isoquinolinyl]-1,2,4-Oxadiazol-5-Yl}-2-Isopropoxybenzonitrile

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Properties Simple | Detailed

Formula C25H28N4O4
IUPAC Name 5-[3-[2-[2-hydroxy-1-(hydroxymethyl)ethyl]-5-methyl-3,4-dihydro-1h-isoquinolin-6-yl]-1,2,4-oxadiazol-5-yl]-2-isopropoxy-benzonitrile
Molecular Mass 448.514 g·mol−1
Heat of Formation -204.9 ± 16.7 kJ·mol−1
Dipole Moment 9.74 ± 1.08 D
Volume 534.69 Å 3
Surface Area 467.96 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
InChIKey GOJFPSNMWCYOTJ-UHFFFAOYSA-N
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