6-[2-(2H-Tetrazol-5-Yl)Ethyl]Decahydro-3-Isoquinolinecarboxylic Acid

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Properties Simple | Detailed

Formula C13H21N5O2
IUPAC Name (3r,4ar,6r,8ar)-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 -176.0 ± 16.7 kJ·mol−1
Dipole Moment 2.33 ± 1.08 D
Volume 336.4 Å 3
Surface Area 293.19 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.67 ± eV
Point Group Symmetry C1
InChIKey ZXFRFPSZAKNPQQ-LMLFDSFASA-N
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