(7R,9As)-7-[(4-Fluorophenoxy)Methyl]-2-(5-Fluoro-2-Pyrimidinyl)Octahydro-2H-Pyrido[1,2-A]Pyrazine

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Properties Simple | Detailed

Formula C19H22F2N4O
IUPAC Name (2s,5s,7r,9as)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
Molecular Mass 360.401 g·mol−1
Heat of Formation -250.1 ± 16.7 kJ·mol−1
Dipole Moment 1.65 ± 1.08 D
Volume 421.68 Å 3
Surface Area 373.82 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • (7r,9as)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoro-2-pyrimidinyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
  • (7r,9as)-7-[(4-fluorophenoxy)methyl]-2-(5-fluoropyrimidin-2-yl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
InChIKey QXWNESOGWFJDFR-PBHICJAKSA-N
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