Formula |
C40H56O4 |
IUPAC Name |
3,4-dimethylene-5-[2-(2-prop-1-ynylcyclopropen-1-yl)ethynyl]-6-oxabicyclo[5.1.0]oct-1(7)-en-2-one; (3-methyl-6-methylene-7-prop-1-ynyl-4h-oxepin-5-ylidene)methanone |
Molecular Mass |
600.870 g·mol−1 |
Heat of Formation |
-489.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.87 ± 1.08 D |
Volume |
828.59 Å 3 |
Surface Area |
689.25 Å 2 |
HOMO Energy |
-8.05 ± 0.55 eV |
LUMO Energy |
2.21 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QAILMWKAKHIIHL-BMGREKGXSA-N |
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Elements |
H
C
O
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