N-(4-Chloro-3-Fluorophenyl)-N'-(1,2,3,4-Tetrahydro-1-Isoquinolinylmethyl)Ethanediamide

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Formula C18H17ClFN3O2
IUPAC Name n'-(4-chloro-3-fluoro-phenyl)-n-[[(1s)-1,2,3,4-tetrahydroisoquinolin-1-yl]methyl]oxamide
Molecular Mass 361.798 g·mol−1
Heat of Formation -374.1 ± 16.7 kJ·mol−1
Dipole Moment 6.41 ± 1.08 D
Volume 398.86 Å 3
Surface Area 365.92 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
InChIKey REQBBGSBIRNOFT-MRXNPFEDSA-N
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Elements C Cl H F O N