Formula |
C28H28N8O |
IUPAC Name |
1-[2-(3-aminophenyl)-5-tert-butyl-pyrazol-2-ium-5-ylium-3-yl]-3-[4-(quinazolin-4-ylamino)phenyl]urea |
Molecular Mass |
492.575 g·mol−1 |
Heat of Formation |
415.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.27 ± 1.08 D |
Volume |
583.16 Å 3 |
Surface Area |
518.95 Å 2 |
HOMO Energy |
-8.46 ± 0.55 eV |
LUMO Energy |
2.09 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SHTNULLAAVPXRC-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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