2-[4-(2-Chloro-10,11-Dihydrodibenzo[B,F]Thiepin-10-Yl)-1-Piperazinyl]Ethanol

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Properties Simple | Detailed

Formula C20H23ClN2OS
IUPAC Name 2-[4-[(6s)-3-chloro-5,6-dihydrobenzo[b][1]benzothiepin-6-yl]piperazin-1-yl]ethanol
Molecular Mass 374.927 g·mol−1
Heat of Formation 29.5 ± 16.7 kJ·mol−1
Dipole Moment 3.67 ± 1.08 D
Volume 439.13 Å 3
Surface Area 344.35 Å 2
HOMO Energy -8.22 ± 0.55 eV
LUMO Energy -0.65 ± eV
Point Group Symmetry C1
InChIKey BMQLWINJIGEDEK-SFHVURJKSA-N
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Elements C Cl H O N S