4-Methyl-N-({1-[(2S)-1-(2-Naphthyl)-4-Nitroso-4-Oxo-2-Butanyl]-1H-1,2,3-Triazol-4-Yl}Methyl)Benzamide

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Properties Simple | Detailed

Formula C25H23N5O3
IUPAC Name 4-methyl-n-({1-[(2s)-1-(2-naphthyl)-4-nitroso-4-oxo-2-butanyl]-1h-1,2,3-triazol-4-yl}methyl)benzamide
Molecular Mass 441.482 g·mol−1
Heat of Formation 217.9 ± 16.7 kJ·mol−1
Dipole Moment 5.13 ± 1.08 D
Volume 532.31 Å 3
Surface Area 460.13 Å 2
HOMO Energy -9.20 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
InChIKey BKDSTKVFPHOHHU-QHCPKHFHSA-N
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