Formula |
C8H10N6O4 |
IUPAC Name |
(2r)-2-amino-3-[3-hydroxy-5-(2-methyl-3,4-diaza-2-azonia-1-azanidacyclopenta-2,4-dien-5-yl)isoxazol-1-ium-2-id-4-yl]propanoic acid |
Molecular Mass |
254.203 g·mol−1 |
Heat of Formation |
-145.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.05 ± 1.08 D |
Volume |
270.67 Å 3 |
Surface Area |
254.95 Å 2 |
HOMO Energy |
-9.51 ± 0.55 eV |
LUMO Energy |
1.74 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
YXLQKZHKWIKJKC-SCSAIBSYSA-N |
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Elements |
H
C
O
N
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