Formula |
C25H31ClN2O5 |
IUPAC Name |
[1-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propyl]-4-piperidyl]methyl 4-amino-5-chloro-2-methoxy-benzoate |
Molecular Mass |
474.977 g·mol−1 |
Heat of Formation |
-748.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.89 ± 1.08 D |
Volume |
570.0 Å 3 |
Surface Area |
461.56 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-0.29 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AJVNZBQUOHOEQO-LOVOGKKYSA-N |
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Elements |
H
C
N
O
Cl
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