N-Cyclopropyl-4-Methyl-3-[3-(2-Methyl-2-Propanyl)[1,2,4]Triazolo[4,3-A]Pyridin-7-Yl]Benzamide

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Formula C21H25N4O+
IUPAC Name 3-(3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-n-cyclopropyl-4-methylbenzamide
Molecular Mass 349.449 g·mol−1
Heat of Formation 185.0 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 436.22 Å 3
Surface Area 387.84 Å 2
HOMO Energy -9.08 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry C1
InChIKey QOUXRSOLEJEKEB-UHFFFAOYSA-N
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