(1Z,3R)-1-(2,4-Dichlorophenyl)-4,4-Dimethyl-2-(1H-1,2,4-Triazol-1-Yl)-1-Penten-3-Ol

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Properties Simple | Detailed

Formula C15H17Cl2N3O
IUPAC Name (z,3r)-2-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-1-(2,4-dichlorophenyl)-4,4-dimethyl-pent-1-en-3-ol
Molecular Mass 326.221 g·mol−1
Heat of Formation 5.6 ± 16.7 kJ·mol−1
Dipole Moment 3.41 ± 1.08 D
Volume 377.7 Å 3
Surface Area 307.1 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey FBOUIAKEJMZPQG-XMRSSTEGSA-N
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Elements H C N O Cl