(3S,4Ar,6S,8Ar)-6-[(~11~C)-2H-Tetrazol-5-Ylmethyl]Decahydro-3-Isoquinolinecarboxylic Acid

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Formula C12H19N5O2
IUPAC Name (3r,4as,6r,8as)-6-(2h-tetrazol-5-ylmethyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid
Molecular Mass 265.312 g·mol−1
Heat of Formation -169.4 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 319.25 Å 3
Surface Area 284.14 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.50 ± eV
Point Group Symmetry C1
InChIKey ACTONBBIVMTUAJ-KATARQTJSA-N
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