Formula |
C23H26ClN7O2 |
IUPAC Name |
2-[benzyl-[(e)-[2-chloro-5-(2,4-diamino-6-ethyl-pyrimidine-1,3-diium-5-id-5-yl)phenyl]azo]amino]ethyl acetate |
Molecular Mass |
467.951 g·mol−1 |
Heat of Formation |
43.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.77 ± 1.08 D |
Volume |
543.54 Å 3 |
Surface Area |
452.56 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
2.26 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QKBISNUGIKKCIM-QVIHXGFCSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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