N-{4-[5-(2-Phenanthryl)-3-(Trifluoromethyl)-1H-Pyrazol-1-Yl]Phenyl}Glycinamide

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Formula C26H19F3N4O
IUPAC Name 2-amino-n-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)pyrazol-1-ium-2-id-1-yl]phenyl]acetamide
Molecular Mass 460.450 g·mol−1
Heat of Formation 363.2 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 491.34 Å 3
Surface Area 433.58 Å 2
HOMO Energy -9.33 ± 0.55 eV
LUMO Energy -3.19 ± eV
Point Group Symmetry C1
Synonyms
  • 2-amino-n-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)-1-pyrazolyl]phenyl]acetamide
  • 2-amino-n-[4-[5-(2-phenanthryl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
  • 2-amino-n-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]acetamide
  • 2-amino-n-[4-[5-phenanthren-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamide
InChIKey YULUCECVQOCQFQ-UHFFFAOYSA-N
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