3-[Trans-1-(4-Chlorophenyl)-3-Fluorocyclobutyl]-4,5-Dicyclopropyl-4H-1,2,4-Triazole

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Properties Simple | Detailed

Formula C18H19ClFN3
IUPAC Name 3-[1-(4-chlorophenyl)-3-fluorocyclobutyl]-4,5-dicyclopropyl-1,2,4-triazole
Molecular Mass 331.815 g·mol−1
Heat of Formation 245.8 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 393.41 Å 3
Surface Area 322.12 Å 2
HOMO Energy -9.70 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
InChIKey OGYZYOKAXYFLIU-PPUGGXLSSA-N
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Elements H N F C Cl