2-Methyl-2-Propanyl (3S)-1,2,3,4-Tetrahydro-3-Isoquinolinecarboxylate

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Properties Simple | Detailed

Formula C14H19NO2
IUPAC Name tert-butyl (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
Molecular Mass 233.306 g·mol−1
Heat of Formation -366.8 ± 16.7 kJ·mol−1
Dipole Moment 2.12 ± 1.08 D
Volume 298.95 Å 3
Surface Area 271.64 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy 0.12 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid tert-butyl ester
  • tert-butyl (3s)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
InChIKey KRSUDBIZXKOKGA-LBPRGKRZSA-N
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