N-({1-[(2R)-4-(Hydroxyamino)-1-(2-Naphthyl)-4-Oxo-2-Butanyl]-1H-1,2,3-Triazol-4-Yl}Methyl)-4-Methylbenzamide

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Properties Simple | Detailed

Formula C25H25N5O3
IUPAC Name n-[[1-[(2r)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]-4-methylbenzamide
Molecular Mass 443.498 g·mol−1
Heat of Formation 38.0 ± 16.7 kJ·mol−1
Dipole Moment 5.15 ± 1.08 D
Volume 537.17 Å 3
Surface Area 445.68 Å 2
HOMO Energy -8.83 ± 0.55 eV
LUMO Energy 2.54 ± eV
Point Group Symmetry C1
InChIKey QIIHKUBWBJHTFJ-HSZRJFAPSA-N
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