1-[6-(2-Chlorophenyl)-9-Methyl-6H-Thieno[3,2-F][1,2,4]Triazolo[4,3-A][1,4]Diazepin-2-Yl]Ethanol

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Formula C17H15ClN4OS
IUPAC Name 1-[6-(2-chlorophenyl)-9-methyl-6h-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]ethanol
Molecular Mass 358.845 g·mol−1
Heat of Formation 268.9 ± 16.7 kJ·mol−1
Dipole Moment 6.07 ± 1.08 D
Volume 389.16 Å 3
Surface Area 337.5 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -1.56 ± eV
Point Group Symmetry C1
InChIKey BTGCWXDWJAGZML-PSLIRLAXSA-N
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