1-(Hydroxymethyl)-7-Methoxy-6(2H)-Isoquinolinone

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Formula C11H20NO3+
IUPAC Name 1-(hydroxymethyl)-7-methoxy-3,4,5,8-tetrahydro-2h-isoquinoline-1,3,4,4a,5,7,8,8a-octaid-6-one
Molecular Mass 214.281 g·mol−1
Heat of Formation -294.9 ± 16.7 kJ·mol−1
Dipole Moment 6.56 ± 1.08 D
Volume 232.79 Å 3
Surface Area 223.17 Å 2
HOMO Energy -7.97 ± 0.55 eV
LUMO Energy 2.05 ± eV
Point Group Symmetry C1
InChIKey XLOOMNWZRXRXFX-UHFFFAOYSA-N
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