| Formula |
C23H27N5O3 |
| IUPAC Name |
methyl n-[(1s)-3-[4-[(s)-cyano-(2-methyl-3-pyridyl)methyl]piperazin-1-yl]-3-oxo-1-phenyl-propyl]carbamate |
| Molecular Mass |
421.492 g·mol−1 |
| Heat of Formation |
-199.7 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.77 ± 1.08 D |
| Volume |
517.62 Å 3 |
| Surface Area |
396.89 Å 2 |
| HOMO Energy |
-9.58 ± 0.55 eV |
| LUMO Energy |
-0.61 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
PMKMCABYJLILBB-LEWJYISDSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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