Formula |
C16H20N4O5++ |
IUPAC Name |
3-[(e)-3-[(2,4-dioxo-1h-pyrimidine-1,3-diium-6-yl)methylamino]propoxyiminomethyl]benzoic acid |
Molecular Mass |
348.354 g·mol−1 |
Heat of Formation |
-566.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.47 ± 1.08 D |
Volume |
397.91 Å 3 |
Surface Area |
383.13 Å 2 |
HOMO Energy |
-9.67 ± 0.55 eV |
LUMO Energy |
-0.99 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DNNMFLCWPRQYIC-GIJQJNRQSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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