4-Methyl-N-({1-[(2S)-1-(2-Naphthyl)-4-Nitroso-4-Oxo-2-Butanyl]-1H-1,2,3-Triazol-4-Yl}Methyl)Benzamide
Properties
Property | Value |
---|---|
Formula | C25H23N5O3 |
IUPAC Name | 4-methyl-n-[[1-[(1s)-1-(2-naphthylmethyl)-3-nitroso-3-oxo-propyl]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 |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |