(5-Chloro-2-{3-[(Diethylamino)Methyl]-5-Methyl-4H-1,2,4-Triazol-4-Yl}Phenyl)(Phenyl)Methanone

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Properties Simple | Detailed

Formula C21H23ClN4O
IUPAC Name [5-chloro-2-[3-(diethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Molecular Mass 382.887 g·mol−1
Heat of Formation 149.1 ± 16.7 kJ·mol−1
Dipole Moment 3.91 ± 1.08 D
Volume 464.12 Å 3
Surface Area 349.15 Å 2
HOMO Energy -8.97 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-2-(3-((diethylamino)methyl)-5-methyl-4h-1,2,4-triazol-4-yl)benzophenone
  • [5-chloro-2-[3-(diethylaminomethyl)-5-methyl-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone
  • cdmtb
  • methanone, (5-chloro-2-(3-((diethylamino)methyl)-5-methyl-4h-1,2,4-triazol-4-yl)phenyl)phenyl-
CAS Number(s)
  • 38150-34-4
InChIKey HFPUSXXJLGWGGC-UHFFFAOYSA-N
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DOI
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