Formula |
C25H29BrF3N5O |
IUPAC Name |
n2-[4-[2-[4-bromo-2-(trifluoromethoxy)phenyl]ethylamino]cyclohexyl]-n4,n4-dimethyl-quinazoline-2,4-diamine |
Molecular Mass |
552.430 g·mol−1 |
Heat of Formation |
-561.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.40 ± 1.08 D |
Volume |
593.65 Å 3 |
Surface Area |
502.23 Å 2 |
HOMO Energy |
-8.48 ± 0.55 eV |
LUMO Energy |
2.17 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
FWKVXHBRMCTKHZ-KDURUIRLSA-N |
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Elements |
C
F
H
O
N
Br
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