N-(4-Fluorophenyl)-4,5-Dimethyl-6-[(1S)-1-Methyl-3,4-Dihydro-2(1H)-Isoquinolinyl]-2-Pyrimidinamine

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Formula C22H23FN4
IUPAC Name n-(4-fluorophenyl)-4,5-dimethyl-6-[(1s,2r)-1-methyl-3,4-dihydro-1h-isoquinolin-2-yl]pyrimidin-2-amine
Molecular Mass 362.443 g·mol−1
Heat of Formation 77.7 ± 16.7 kJ·mol−1
Dipole Moment 2.85 ± 1.08 D
Volume 439.99 Å 3
Surface Area 373.62 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 2.64 ± eV
Point Group Symmetry C1
InChIKey LECZXZOBEZITCL-INIZCTEOSA-N
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Elements H C N F