Formula |
C18H14F3N3O |
IUPAC Name |
1-(5-isoquinolyl)-3-[[4-(trifluoromethyl)phenyl]methyl]urea |
Molecular Mass |
345.318 g·mol−1 |
Heat of Formation |
-542.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.33 ± 1.08 D |
Volume |
374.49 Å 3 |
Surface Area |
342.84 Å 2 |
HOMO Energy |
-8.85 ± 0.55 eV |
LUMO Energy |
-1.02 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-(5-isoquinolyl)-3-[4-(trifluoromethyl)benzyl]urea
- t5380086
|
InChIKey |
SJGVXVZUSQLLJB-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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|
Elements |
H
C
N
O
F
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