3-(3-Fluorophenyl)-N-{[2-(1H-Imidazol-1-Yl)-4-Pyrimidinyl]Methyl}-1-Propanamine

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Properties Simple | Detailed

Formula C17H18FN5
IUPAC Name 3-(3-fluorophenyl)-n-[(2-imidazol-1-ylpyrimidin-4-yl)methyl]propan-1-amine
Molecular Mass 311.357 g·mol−1
Heat of Formation 216.9 ± 16.7 kJ·mol−1
Dipole Moment 7.72 ± 1.08 D
Volume 377.65 Å 3
Surface Area 355.19 Å 2
HOMO Energy -9.56 ± 0.55 eV
LUMO Energy 1.93 ± eV
Point Group Symmetry C1
InChIKey MFPWDFATUAKLEA-UHFFFAOYSA-N
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Elements H C F N