2-{[(6-Oxo-1,6-Dihydro-3-Pyridinyl)Methyl]Amino}-N-[4-Propyl-3-(Trifluoromethyl)Phenyl]Benzamide

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Properties Simple | Detailed

Formula C23H22F3N3O2+
IUPAC Name 2-[(2-oxo-3h-pyridin-1-ium-3-id-5-yl)methylamino]-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
Molecular Mass 429.435 g·mol−1
Heat of Formation -803.0 ± 16.7 kJ·mol−1
Dipole Moment 5.53 ± 1.08 D
Volume 486.77 Å 3
Surface Area 431.6 Å 2
HOMO Energy -8.61 ± 0.55 eV
LUMO Energy 2.26 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(6-keto-1h-pyridin-3-yl)methylamino]-n-[4-propyl-3-(trifluoromethyl)phenyl]benzamide
  • gin
InChIKey SHSORWZDEKFFLP-UHFFFAOYSA-N
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