5-{[4-(2-Pyrimidinyl)-1-Piperazinyl]Methyl}-4,5-Dihydro-1,3-Oxazol-2-Amine

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Properties Simple | Detailed

Formula C12H18N6O
IUPAC Name (5r)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-4,5-dihydrooxazol-2-amine
Molecular Mass 262.311 g·mol−1
Heat of Formation 114.0 ± 16.7 kJ·mol−1
Dipole Moment 2.81 ± 1.08 D
Volume 314.31 Å 3
Surface Area 287.46 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy -0.01 ± eV
Point Group Symmetry C1
InChIKey CFFBLPKCMVYPLU-JTQLQIEISA-N
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