8-(2-Ethyl-4-Methyl-6-Vinylphenyl)Tetrahydro-7H-Pyrazolo[1,2-D][1,4,5]Oxadiazepine-7,9(8H)-Dione
Properties
Property | Value |
---|---|
Formula | C18H22N2O3 |
IUPAC Name | 8-(2-ethyl-4-methyl-6-vinyl-phenyl)-1,2,4,5-tetrahydropyrazolo[1,2-d][1,4,5]oxadiazepine-7,9-dione |
Molecular Mass | 314.379 g·mol−1 |
Heat of Formation | -315.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.32 ± 1.08 D |
Volume | 378.29 Å 3 |
Surface Area | 306.8 Å 2 |
HOMO Energy | -8.90 ± 0.55 eV |
LUMO Energy | 2.97 ± eV |
Point Group Symmetry | C1 |
InChIKey | CYYDMVKNZPACLF-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | ChemSpider |
DOI | |
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Elements | H C O N |