4-[4-(1-Benzofuran-5-Yl)Phenyl]-5-{[(3S)-1-(Cyclopropylcarbonyl)-3-Pyrrolidinyl]Methyl}-2,4-Dihydro-3H-1,2,4-Triazol-3-One

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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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