Formula |
C36H43N11O2 |
IUPAC Name |
n-[4-[4-[[2-(3-aminophenyl)-5-tert-butyl-pyrazol-2-ium-5-ylium-3-yl]carbamoylamino]anilino]quinazolin-6-yl]-3-(4-methylpiperazin-1-yl)propanamide |
Molecular Mass |
661.799 g·mol−1 |
Heat of Formation |
241.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.39 ± 1.08 D |
Volume |
792.71 Å 3 |
Surface Area |
694.72 Å 2 |
HOMO Energy |
-8.26 ± 0.55 eV |
LUMO Energy |
-0.85 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
SIXVDPYFTBZLMQ-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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