Formula |
C23H31N3O3 |
IUPAC Name |
ethyl 4-[4-[1-(6-methylpyridazin-3-yl)-4-piperidyl]butoxy]benzoate |
Molecular Mass |
397.511 g·mol−1 |
Heat of Formation |
-355.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.74 ± 1.08 D |
Volume |
498.81 Å 3 |
Surface Area |
458.34 Å 2 |
HOMO Energy |
-8.58 ± 0.55 eV |
LUMO Energy |
2.63 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (methylpyridazine piperidine butyloxyphenyl)ethylacetate
- 4-[4-[1-(6-methyl-3-pyridazinyl)-4-piperidinyl]butoxy]benzoic acid ethyl ester
- 4-[4-[1-(6-methylpyridazin-3-yl)-4-piperidyl]butoxy]benzoic acid ethyl ester
- ethyl 4-[4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy]benzoate
- j80
|
InChIKey |
AQILFLLHLFBLLG-UHFFFAOYSA-N |
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Links |
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|
Elements |
H
C
O
N
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