(3R,4As,6S,8As)-6-[2-(2H-Tetrazol-5-Yl)Ethyl]Decahydro-3-Isoquinolinecarboxylic Acid

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Formula C13H21N5O2
IUPAC Name (3r,4as,6s,8as)-6-[2-(2h-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Molecular Mass 279.338 g·mol−1
Heat of Formation -161.0 ± 16.7 kJ·mol−1
Dipole Moment 2.38 ± 1.08 D
Volume 336.41 Å 3
Surface Area 300.41 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
Synonyms
  • (3r,4as,6s,8as)-6-[2-(2h-1,2,3,4-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
InChIKey ZXFRFPSZAKNPQQ-ZRUFSTJUSA-N
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