5-(Cyclohexylamino)-2-Phenyl-6-(1H-1,2,4-Triazol-3-Yl)-3(2H)-Pyridazinone

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Properties Simple | Detailed

Formula C18H20N6O+
IUPAC Name 5-(cyclohexylamino)-2-phenyl-6-(1h-1,2,4-triazol-5-yl)pyridazin-3-one
Molecular Mass 336.391 g·mol−1
Heat of Formation 248.2 ± 16.7 kJ·mol−1
Dipole Moment 2.11 ± 1.08 D
Volume 393.31 Å 3
Surface Area 351.65 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 1.96 ± eV
Point Group Symmetry C1
InChIKey CRZJAUQQVQGZNE-UHFFFAOYSA-N
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