(6,7-Dihydroxy-3,4-Dihydro-2(1H)-Isoquinolinyl)Acetonitrile

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Properties Simple | Detailed

Formula C11H12N2O2
IUPAC Name 2-[(2s)-6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-2-yl]acetonitrile
Molecular Mass 204.225 g·mol−1
Heat of Formation -125.4 ± 16.7 kJ·mol−1
Dipole Moment 6.18 ± 1.08 D
Volume 243.29 Å 3
Surface Area 231.24 Å 2
HOMO Energy -8.76 ± 0.55 eV
LUMO Energy -0.12 ± eV
Point Group Symmetry C1
Synonyms
  • 2(1h)-isoquinolineacetonitrile, 3,4-diydro-6,7-dihydroxy-
  • 2-(6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-2-yl)acetonitrile
  • 2-(6,7-dihydroxy-3,4-dihydro-1h-isoquinolin-2-yl)ethanenitrile
  • 6,7-dihydroxy-n-cyanomethyl-1,2,3,4-tetrahydroisoquinoline
  • da-cm-q
CAS Number(s)
  • 152211-63-7
InChIKey NSWKXPYAEDMRAW-UHFFFAOYSA-N
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