Formula |
C19H25N3O3 |
IUPAC Name |
n-[3-cyano-4-[(2s)-3-(1,1-dimethylprop-2-ynylamino)-2-hydroxy-propoxy]phenyl]-2-methyl-propanamide |
Molecular Mass |
343.420 g·mol−1 |
Heat of Formation |
-194.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.99 ± 1.08 D |
Volume |
377.53 Å 3 |
Surface Area |
326.14 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-0.80 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OPEGAEBRVGIBAS-INIZCTEOSA-N |
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Elements |
H
C
O
N
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