Formula |
C15H20ClN3O2 |
IUPAC Name |
(2s)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-[(4-chlorophenoxy)methyl]-3,3-dimethyl-butan-2-ol |
Molecular Mass |
309.791 g·mol−1 |
Heat of Formation |
-171.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.00 ± 1.08 D |
Volume |
371.75 Å 3 |
Surface Area |
313.07 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
-0.48 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
OCQPZTCGZAFWSG-HNNXBMFYSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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