Formula |
C21H22N4O6 |
IUPAC Name |
o3-ethyl o5-methyl (4s)-2-(imidazol-1-ylmethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate |
Molecular Mass |
426.423 g·mol−1 |
Heat of Formation |
-474.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.51 ± 1.08 D |
Volume |
488.98 Å 3 |
Surface Area |
400.49 Å 2 |
HOMO Energy |
-9.23 ± 0.55 eV |
LUMO Energy |
1.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
BFLKGKGRZKABHQ-SFHVURJKSA-N |
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Elements |
H
C
O
N
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