2-Chloro-1-{5-[(5E)-5-Heptene-1,3-Diyn-1-Yl]-2-Thienyl}Ethanol

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Properties Simple | Detailed

Formula C13H11ClOS
IUPAC Name (1s)-2-chloro-1-[5-[(e)-hept-5-en-1,3-diynyl]-2-thienyl]ethanol
Molecular Mass 250.744 g·mol−1
Heat of Formation 328.0 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 290.14 Å 3
Surface Area 287.78 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
InChIKey MMMJOLFAYHLDBI-QAVQXKDTSA-N
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