Formula |
C36H49N9O2 |
IUPAC Name |
n-[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]-4-[2-[[5-tert-butyl-2-(p-tolyl)pyrazol-3-yl]carbamoylamino]ethyl]piperazine-1-carboxamide |
Molecular Mass |
639.833 g·mol−1 |
Heat of Formation |
63.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.41 ± 1.08 D |
Volume |
800.5 Å 3 |
Surface Area |
692.0 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
2.66 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DWTWTHMDBSOYDZ-UHFFFAOYSA-N |
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Elements |
H
C
O
N
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