| Formula |
C23H23ClN6O2 |
| IUPAC Name |
[(7r)-4-(5-chloro-1,3-benzoxazol-2-yl)-7-methyl-1,4-diazepan-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone |
| Molecular Mass |
450.921 g·mol−1 |
| Heat of Formation |
207.6 ± 16.7 kJ·mol−1 |
| Dipole Moment |
1.71 ± 1.08 D |
| Volume |
520.79 Å 3 |
| Surface Area |
421.58 Å 2 |
| HOMO Energy |
-8.87 ± 0.55 eV |
| LUMO Energy |
2.17 ± eV |
| Point Group Symmetry |
C1
|
| InChIKey |
JYTNQNCOQXFQPK-MRXNPFEDSA-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
N
O
Cl
|
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