(4E)-2-(4-Chlorophenyl)-4-(Hydroxyimino)-3,3-Dimethyl-1-(1H-1,2,4-Triazol-1-Yl)-2-Butanol

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Properties Simple | Detailed

Formula C14H17ClN4O2
IUPAC Name (1e,3r)-4-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3-(4-chlorophenyl)-3-hydroxy-2,2-dimethyl-butanal oxime
Molecular Mass 308.763 g·mol−1
Heat of Formation 2.1 ± 16.7 kJ·mol−1
Dipole Moment 6.92 ± 1.08 D
Volume 359.8 Å 3
Surface Area 295.6 Å 2
HOMO Energy -9.71 ± 0.55 eV
LUMO Energy -0.38 ± eV
Point Group Symmetry C1
InChIKey JPKARLXXWXJTKF-LLVIWDJBSA-N
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Elements H C N O Cl