2,6-Difluoro-4-{4-[4-(4-Methyl-1-Piperazinyl)Phenyl]-3-Pyridinyl}Phenol

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Properties Simple | Detailed

Formula C22H21F2N3O
IUPAC Name 2,6-difluoro-4-[4-[4-(4-methylpiperazin-1-yl)phenyl]-3-pyridyl]phenol
Molecular Mass 381.418 g·mol−1
Heat of Formation -199.6 ± 16.7 kJ·mol−1
Dipole Moment 5.21 ± 1.08 D
Volume 449.64 Å 3
Surface Area 373.6 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -1.06 ± eV
Point Group Symmetry C1
InChIKey IKUFKDGKRLMXEX-UHFFFAOYSA-N
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