Formula |
C35H39N6O2+ |
IUPAC Name |
1-[5-tert-butyl-2-(p-tolyl)-1h-pyrazol-2-ium-3-yl]-3-[4-[6-(morpholinomethyl)-3-pyridyl]-1-naphthyl]urea |
Molecular Mass |
575.723 g·mol−1 |
Heat of Formation |
7611.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.74 ± 1.08 D |
Volume |
851.24 Å 3 |
Surface Area |
651.89 Å 2 |
HOMO Energy |
-6.67 ± 0.55 eV |
LUMO Energy |
-2.56 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AJSMPUSEUKXNDW-UHFFFAOYSA-O |
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Elements |
C
O
N
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