Formula |
C25H24N4O3 |
IUPAC Name |
4-[4-(benzofuran-5-yl)phenyl]-3-[[(3s)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-1h-1,2,4-triazol-5-one |
Molecular Mass |
428.483 g·mol−1 |
Heat of Formation |
16.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.31 ± 1.08 D |
Volume |
500.99 Å 3 |
Surface Area |
444.98 Å 2 |
HOMO Energy |
-9.08 ± 0.55 eV |
LUMO Energy |
-0.95 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
AQTPWCUIYUOEMG-INIZCTEOSA-N |
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Links |
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Elements |
H
C
O
N
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