2-{4-[6-(1-Benzothiophen-2-Yl)-4-Pyrimidinyl]-1-Piperazinyl}-1-(1-Pyrrolidinyl)Ethanone

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Formula C22H25N5OS
IUPAC Name 2-[4-[6-(benzothiophen-2-yl)pyrimidin-4-yl]piperazin-1-yl]-1-pyrrolidin-1-yl-ethanone
Molecular Mass 407.532 g·mol−1
Heat of Formation 167.7 ± 16.7 kJ·mol−1
Dipole Moment 3.16 ± 1.08 D
Volume 483.62 Å 3
Surface Area 414.67 Å 2
HOMO Energy -8.59 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey NDLZMZLRTHDNSQ-UHFFFAOYSA-N
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