Formula |
C36H38N4O8 |
IUPAC Name |
2-[5-[[5-[2-(2-cyanocyclopropen-1-yl)ethynyl]-3-(hydroperoxymethyl)-4-methyl-pyrrol-1-ium-2-ylidene]methylene]-3,4-dimethylene-pyrrol-1-ium-2-yl]ethynyl-methylidyne-ammonium; molecular oxygen; prop-1-yne |
Molecular Mass |
654.709 g·mol−1 |
Heat of Formation |
-1089.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.03 ± 1.08 D |
Volume |
776.13 Å 3 |
Surface Area |
632.3 Å 2 |
HOMO Energy |
-7.87 ± 0.55 eV |
LUMO Energy |
-2.15 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XNBNKCLBGTWWSD-UJJXFSCMSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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