N-[4-(3-{[4-Cyano-4-(3,4-Dimethoxyphenyl)-5-Methylhexyl]Amino}Propyl)Phenyl]-2-Diazo-3,3,3-Trifluoro-N-Methylpropanamide

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Properties Simple | Detailed

Formula C29H36F3N5O3
IUPAC Name [1-[[4-[3-[[(4s)-4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]amino]propyl]phenyl]-methyl-carbamoyl]-2,2,2-trifluoro-ethyl]-λ1-azanyl-azanide
Molecular Mass 559.623 g·mol−1
Heat of Formation 3341.3 ± 16.7 kJ·mol−1
Dipole Moment 4.35 ± 1.08 D
Volume 562.62 Å 3
Surface Area 489.78 Å 2
HOMO Energy -8.40 ± 0.55 eV
LUMO Energy -2.41 ± eV
Point Group Symmetry C1
InChIKey RTQZTMVFWMTXCO-BJBWNOGKSA-N
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