1-[2-Hydroxy-3-Propyl-4-(4-{2-[4-(2H-Tetrazol-5-Yl)Butyl]-2H-Tetrazol-5-Yl}Butoxy)Phenyl]Ethanone
Properties
Property | Value |
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Formula | C21H30N8O3 |
IUPAC Name | 1-[2-hydroxy-3-propyl-4-[4-[2-[4-(2h-tetrazol-5-yl)butyl]tetrazol-5-yl]butoxy]phenyl]ethanone |
Molecular Mass | 442.515 g·mol−1 |
Heat of Formation | -55.7 ± 16.7 kJ·mol−1 |
Dipole Moment | 4.69 ± 1.08 D |
Volume | 553.92 Å 3 |
Surface Area | 414.27 Å 2 |
HOMO Energy | -9.21 ± 0.55 eV |
LUMO Energy | -0.61 ± eV |
Point Group Symmetry | C1 |
Synonyms |
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CAS Number(s) |
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InChIKey | LTMJMFMIOHHHIQ-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H C O N |