2-Methyl-4-(1-Piperazinyl)-5H-Thieno[2,3-B][1,5]Benzodiazepine

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Properties Simple | Detailed

Formula C16H18N4S
IUPAC Name 2-methyl-4-piperazin-1-yl-5h-thieno[3,2-c][1,5]benzodiazepine
Molecular Mass 298.406 g·mol−1
Heat of Formation 373.6 ± 16.7 kJ·mol−1
Dipole Moment 6.08 ± 1.08 D
Volume 352.99 Å 3
Surface Area 313.13 Å 2
HOMO Energy -7.50 ± 0.55 eV
LUMO Energy -0.89 ± eV
Point Group Symmetry Cs
InChIKey CYCLMWMLGIRJQE-UHFFFAOYSA-N
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Elements H S C N