(1S)-6,7-Dimethoxy-1,2-Dimethyl-1,2,3,4-Tetrahydroisoquinoline

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Properties Simple | Detailed

Formula C13H19NO2
IUPAC Name (1s,2s)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1h-isoquinoline
Molecular Mass 221.295 g·mol−1
Heat of Formation -244.7 ± 16.7 kJ·mol−1
Dipole Moment 2.79 ± 1.08 D
Volume 282.81 Å 3
Surface Area 257.93 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy 0.00 ± eV
Point Group Symmetry C1
Synonyms
  • (+-)-carnegine
  • (1s)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1h-isoquinoline
  • carnegine
  • pectenine
CAS Number(s)
  • 490-53-9
InChIKey HRSIPKSSEVRSPG-VIFPVBQESA-N
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