Ethyl N-[2-(2-Pyridinyl)-6-(1,2,4,5-Tetrahydro-3H-3-Benzazepin-3-Yl)-4-Pyrimidinyl]-β-Alaninate

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Formula C24H27N5O2
IUPAC Name ethyl 3-[[2-(2-pyridyl)-6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)pyrimidin-4-yl]amino]propanoate
Molecular Mass 417.503 g·mol−1
Heat of Formation -33.0 ± 16.7 kJ·mol−1
Dipole Moment 3.30 ± 1.08 D
Volume 503.11 Å 3
Surface Area 450.38 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy -0.17 ± eV
Point Group Symmetry C1
InChIKey WBKCKEHGXNWYMO-UHFFFAOYSA-N
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