Formula |
C26H35N3O5 |
IUPAC Name |
octyl (4r)-5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate |
Molecular Mass |
469.573 g·mol−1 |
Heat of Formation |
-539.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.43 ± 1.08 D |
Volume |
584.22 Å 3 |
Surface Area |
465.75 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-1.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
IAWVGADTHVEXRD-XMMPIXPASA-N |
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Elements |
H
C
O
N
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