Neolitacumonine

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Properties Simple | Detailed

Formula C17H13NO3
IUPAC Name 4-([1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl)phenol
Molecular Mass 279.290 g·mol−1
Heat of Formation -159.7 ± 16.7 kJ·mol−1
Dipole Moment 3.77 ± 1.08 D
Volume 315.03 Å 3
Surface Area 291.73 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(p-hydroxy-benzyl)-6,7-methylenedioxyisoquinoline
  • 4-[1,3]dioxolo[4,5-g]isoquinolin-5-ylmethyl-phenol
InChIKey KRHLIEJPAKUMIW-UHFFFAOYSA-N
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