N-{2-[4-(3-Cyano-2-Pyridinyl)-1-Piperazinyl]Ethyl}-3-Methoxybenzamide

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Properties Simple | Detailed

Formula C20H23N5O2
IUPAC Name n-[2-[4-(3-cyano-2-pyridyl)piperazin-1-yl]ethyl]-3-methoxy-benzamide
Molecular Mass 365.429 g·mol−1
Heat of Formation 69.3 ± 16.7 kJ·mol−1
Dipole Moment 5.84 ± 1.08 D
Volume 445.5 Å 3
Surface Area 400.39 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.24 ± eV
Point Group Symmetry C1
InChIKey QYYHRSROCIJIIK-UHFFFAOYSA-N
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