Formula |
C27H23ClN4O3 |
IUPAC Name |
2-[2-[4-(4-acetylphenoxy)phenyl]-5-(2-chlorophenyl)pyrrol-1-yl]-n-(diaminomethylene)acetamide |
Molecular Mass |
486.950 g·mol−1 |
Heat of Formation |
-78.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
0.97 ± 1.08 D |
Volume |
558.46 Å 3 |
Surface Area |
460.92 Å 2 |
HOMO Energy |
-8.80 ± 0.55 eV |
LUMO Energy |
2.40 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
MIEKBLPHNQZVQQ-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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