1-[(3,4-Dihydroxycyclohexyl)Methyl]-7-Hydroxy-3,4,5,8-Tetrahydro-2H-Isoquinoline-1,3,4,4A,5,7,8,8A-Octaid-6-One

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Formula C16H28NO4+
IUPAC Name 1-[(3,4-dihydroxycyclohexyl)methyl]-7-hydroxy-3,4,5,8-tetrahydro-2h-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one
Molecular Mass 298.398 g·mol−1
Heat of Formation -419.6 ± 16.7 kJ·mol−1
Dipole Moment 11.05 ± 1.08 D
Volume 318.46 Å 3
Surface Area 288.25 Å 2
HOMO Energy -8.08 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
InChIKey NFIMARUDUVQWMU-UHFFFAOYSA-O
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