Formula |
C18H19NO6 |
IUPAC Name |
[(1s)-2-formyl-7-methoxy-6-methyl-5,8-dioxo-1h-isoquinolin-1-yl]methyl (z)-2-methylbut-2-enoate |
Molecular Mass |
345.347 g·mol−1 |
Heat of Formation |
-793.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.28 ± 1.08 D |
Volume |
395.66 Å 3 |
Surface Area |
309.38 Å 2 |
HOMO Energy |
-8.89 ± 0.55 eV |
LUMO Energy |
-1.61 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
VRZJVUPPQWDFAC-OMPYUXFZSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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