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 C29H40F3N5O3
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 563.655 g·mol−1
Heat of Formation -707.2 ± 16.7 kJ·mol−1
Dipole Moment 6.60 ± 1.08 D
Volume 680.6 Å 3
Surface Area 579.04 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -1.24 ± eV
Point Group Symmetry C1
InChIKey RTQZTMVFWMTXCO-BJBWNOGKSA-N
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