Formula |
C26H32N2O5 |
IUPAC Name |
6-[[[2-(cyclohexylmethylcarbamoyl)phenyl]methyl-methyl-amino]methyl]-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid |
Molecular Mass |
452.543 g·mol−1 |
Heat of Formation |
-768.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.61 ± 1.08 D |
Volume |
546.18 Å 3 |
Surface Area |
435.94 Å 2 |
HOMO Energy |
-8.86 ± 0.55 eV |
LUMO Energy |
2.75 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XSHGFHPQUOIBPT-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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