(2S)-N-[(2S)-1-(4'-Cyano-4-Biphenylyl)-3-Imino-2-Propanyl]-2-Piperidinecarboxamide

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Properties Simple | Detailed

Formula C22H24N4O
IUPAC Name (2s)-n-[(1s)-1-[[4-(4-cyanophenyl)phenyl]methyl]-2-imino-ethyl]piperidine-2-carboxamide
Molecular Mass 360.452 g·mol−1
Heat of Formation 172.1 ± 16.7 kJ·mol−1
Dipole Moment 6.97 ± 1.08 D
Volume 459.94 Å 3
Surface Area 395.34 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy -0.81 ± eV
Point Group Symmetry C1
InChIKey KWNFNOGHHWZOOZ-LZZAFKOHSA-N
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