Formula |
C21H29N5O2 |
IUPAC Name |
5-tert-butyl-n-[(1s)-2-(2-iminoethylamino)-1-(m-tolylmethyl)-2-oxo-ethyl]-2-methyl-pyrazole-3-carboxamide |
Molecular Mass |
383.487 g·mol−1 |
Heat of Formation |
-157.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.94 ± 1.08 D |
Volume |
493.01 Å 3 |
Surface Area |
427.72 Å 2 |
HOMO Energy |
-9.53 ± 0.55 eV |
LUMO Energy |
2.69 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
TVOGNNSPACVESK-QPCOYWRUSA-N |
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Links |
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Elements |
H
C
O
N
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