Formula |
C25H27ClN6O3 |
IUPAC Name |
tert-butyl 6-[2-chloro-4-(dimethylcarbamoyl)anilino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate |
Molecular Mass |
494.973 g·mol−1 |
Heat of Formation |
-126.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.43 ± 1.08 D |
Volume |
572.28 Å 3 |
Surface Area |
490.87 Å 2 |
HOMO Energy |
-8.07 ± 0.55 eV |
LUMO Energy |
-0.72 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
KYBALIQJYSWGLI-UHFFFAOYSA-N |
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Elements |
H
C
Cl
O
N
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