Formula |
C28H33ClN4O3 |
IUPAC Name |
4-[(1s)-2-[2-[2-(3-chloro-4-methoxy-phenyl)ethyl]-5-(3,5-dimethylisoxazol-4-yl)benzimidazol-1-yl]-1-methyl-ethyl]morpholine |
Molecular Mass |
509.040 g·mol−1 |
Heat of Formation |
-114.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.22 ± 1.08 D |
Volume |
623.95 Å 3 |
Surface Area |
496.82 Å 2 |
HOMO Energy |
-8.57 ± 0.55 eV |
LUMO Energy |
2.64 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
GEPYBHCJBORHCE-SFHVURJKSA-N |
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Links |
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Elements |
H
C
N
O
Cl
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