3-[({2-[2-(1H-Imidazol-1-Yl)-4-Pyrimidinyl]Ethyl}Amino)Methyl]Benzonitrile

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Properties Simple | Detailed

Formula C17H16N6
IUPAC Name 3-[[2-[2-(2h-imidazol-1-ium-2-ylium-1-yl)pyrimidin-4-yl]ethylamino]methyl]benzonitrile
Molecular Mass 304.349 g·mol−1
Heat of Formation 557.4 ± 16.7 kJ·mol−1
Dipole Moment 2.00 ± 1.08 D
Volume 371.78 Å 3
Surface Area 351.45 Å 2
HOMO Energy -9.55 ± 0.55 eV
LUMO Energy 0.77 ± eV
Point Group Symmetry C1
InChIKey ODSRQJVZWSSZFG-UHFFFAOYSA-N
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Elements H C N