Formula |
C19H20N4O2 |
IUPAC Name |
(3z,6z)-3-benzylidene-6-[(5-tert-butylimidazol-1-ium-5-ylium-4-yl)methylene]pyrazine-2,5-dione |
Molecular Mass |
336.388 g·mol−1 |
Heat of Formation |
-85.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.39 ± 1.08 D |
Volume |
403.89 Å 3 |
Surface Area |
359.32 Å 2 |
HOMO Energy |
-8.55 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UNRCMCRRFYFGFX-TYPNBTCFSA-N |
QR Code |
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Elements |
H
C
O
N
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