Formula |
C30H32BrClN4O2 |
IUPAC Name |
n-[(1s)-1-(3-benzyl-7-chloro-4-oxo-quinazolin-2-yl)propyl]-4-bromo-n-[3-(dimethylamino)propyl]benzamide |
Molecular Mass |
595.958 g·mol−1 |
Heat of Formation |
-88.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.34 ± 1.08 D |
Volume |
659.69 Å 3 |
Surface Area |
489.36 Å 2 |
HOMO Energy |
-8.90 ± 0.55 eV |
LUMO Energy |
-1.00 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PZVLDHUUSWUATQ-MHZLTWQESA-N |
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Elements |
C
Cl
H
O
N
Br
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