Formula |
C23H26N8O3 |
IUPAC Name |
(e)-1-[4-(4-amino-6,7-dimethoxy-quinazolin-2-yl)piperazin-1-yl]-3-[4-[(imino-λ5-azanylidene)amino]phenyl]prop-2-en-1-one |
Molecular Mass |
462.504 g·mol−1 |
Heat of Formation |
254.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.24 ± 1.08 D |
Volume |
531.51 Å 3 |
Surface Area |
477.15 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
-1.33 ± eV |
Point Group Symmetry |
C1
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InChIKey |
LUJFQAAXBZQBNU-VMPITWQZSA-N |
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Elements |
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