1-[3-(3,4-Difluorophenyl)-3-(2-Pyridinyl)Propyl]-2-[3-(1H-Imidazol-5-Yl)Propyl]Guanidine

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Properties Simple | Detailed

Formula C21H24F2N6
IUPAC Name 1-[(3r)-3-(3,4-difluorophenyl)-3-(2-pyridyl)propyl]-2-(3-imidazol-3-ium-4-ylium-4-ylpropyl)guanidine
Molecular Mass 398.452 g·mol−1
Heat of Formation -46.4 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 489.09 Å 3
Surface Area 383.06 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey ZHUPJEZTXBUHGR-QGZVFWFLSA-N
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Elements H C N F