Formula |
C19H19N3O2 |
IUPAC Name |
4-[5-(4-phenoxyphenyl)-4h-pyrazol-1-ium-4-id-3-yl]morpholine |
Molecular Mass |
321.373 g·mol−1 |
Heat of Formation |
108.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.88 ± 1.08 D |
Volume |
380.61 Å 3 |
Surface Area |
348.62 Å 2 |
HOMO Energy |
-8.40 ± 0.55 eV |
LUMO Energy |
-0.79 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- cd 12001
- oprea1_565067
- sr-01000644303-1
|
InChIKey |
WQWBZRVAFAMASC-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
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ChemSpider
|
DOI |
|
Downloads |
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|
Elements |
H
C
O
N
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