N-{1-[N''-Cyano-N'-(Quinolin-5-Yl)Carbamimidamido]-2,2-Dimethylpropyl}-2-(3,4-Dimethoxyphenyl)Acetamide

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Formula C26H31N6O3
IUPAC Name n-[(1s)-1-[(e)-[(cyanoamino)-(quinolin-1-ium-4a-id-5-ylamino)methylene]amino]-2,2-dimethyl-propyl]-2-(3,4-dimethoxyphenyl)acetamide
Molecular Mass 475.563 g·mol−1
Heat of Formation -98.9 ± 16.7 kJ·mol−1
Dipole Moment 4.27 ± 1.08 D
Volume 587.52 Å 3
Surface Area 431.34 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy 2.17 ± eV
Point Group Symmetry C1
InChIKey PUHSRMSFDASMAE-DEOSSOPVSA-N
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