4-Heptyl-1H-Pyrazole

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Properties Simple | Detailed

Formula C10H18N2
IUPAC Name 4-heptylpyrazol-1-ium-2-ide
Molecular Mass 166.263 g·mol−1
Heat of Formation 23.1 ± 16.7 kJ·mol−1
Dipole Moment 2.47 ± 1.08 D
Volume 238.47 Å 3
Surface Area 238.87 Å 2
HOMO Energy -9.49 ± 0.55 eV
LUMO Energy 3.60 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-pyrazole, 4-heptyl-
  • 4-heptylpyrazole
CAS Number(s)
  • 14766-44-0
InChIKey OKWKXBNFKDGWDZ-UHFFFAOYSA-N
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Elements H C N