1-(4-Chlorophenoxy)-3,3-Dimethyl-2-(1H-1,2,4-Triazol-1-Ylmethyl)-2-Butanol

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Formula C15H20ClN3O2
IUPAC Name (2s)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-[(4-chlorophenoxy)methyl]-3,3-dimethyl-butan-2-ol
Molecular Mass 309.791 g·mol−1
Heat of Formation -171.6 ± 16.7 kJ·mol−1
Dipole Moment 3.00 ± 1.08 D
Volume 371.75 Å 3
Surface Area 313.07 Å 2
HOMO Energy -9.39 ± 0.55 eV
LUMO Energy -0.48 ± eV
Point Group Symmetry C1
InChIKey OCQPZTCGZAFWSG-HNNXBMFYSA-N
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Elements H C N O Cl