| Formula |
C25H31IN8O3 |
| IUPAC Name |
1-[4-(4-amino-6,7-dimethoxy-quinazoline-1,3-diium-4a-id-2-yl)piperazin-1-yl]-5-(4-azido-3-iodo-phenyl)pentan-1-one |
| Molecular Mass |
618.470 g·mol−1 |
| Heat of Formation |
115.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.75 ± 1.08 D |
| Volume |
621.35 Å 3 |
| Surface Area |
459.34 Å 2 |
| HOMO Energy |
-8.10 ± 0.55 eV |
| LUMO Energy |
-0.71 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
WZAYVSHNJHXPRH-UHFFFAOYSA-N |
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| DOI |
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| Elements |
I
H
C
O
N
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