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

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Properties Simple | Detailed

Formula C18H17ClN4O
IUPAC Name [5-chloro-2-[3-methyl-5-(methylaminomethyl)-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Molecular Mass 340.807 g·mol−1
Heat of Formation 204.8 ± 16.7 kJ·mol−1
Dipole Moment 6.42 ± 1.08 D
Volume 400.14 Å 3
Surface Area 316.97 Å 2
HOMO Energy -9.29 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 5-chloro-2-(3-methyl-5-((methylamino)methyl)-4h-1,2,4-triazole-4-yl)benzophenone
  • [5-chloro-2-[3-methyl-5-(methylaminomethyl)-1,2,4-triazol-4-yl]phenyl]-phenyl-methanone
  • cmmmtb
  • methanone, (5-chloro-2-(3-methyl-5-((methylamino)methyl)-4h-1,2,4-triazol-4-yl)phenyl)phenyl-
CAS Number(s)
  • 38150-32-2
InChIKey ZDGKGWMHTJKUJI-UHFFFAOYSA-N
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