Formula |
C34H32N4O3 |
IUPAC Name |
[(1s,5r)-3-[[4-[4-(3-methoxy-4-phenoxy-anilino)quinazolin-6-yl]phenyl]methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol |
Molecular Mass |
544.643 g·mol−1 |
Heat of Formation |
181.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.07 ± 1.08 D |
Volume |
646.38 Å 3 |
Surface Area |
561.58 Å 2 |
HOMO Energy |
-8.51 ± 0.55 eV |
LUMO Energy |
2.03 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
WZZXMNBOPNKKSX-BKHFGAQXSA-N |
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Elements |
H
C
O
N
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