N-[(2S,3R)-4-{[2-(2,2-Dimethylpropyl)-6,6-Dimethyl-4,5,6,7-Tetrahydro-2H-Indazol-4-Yl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]Acetamide

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Properties Simple | Detailed

Formula C26H40N4O2
IUPAC Name n-[(1s,2r)-1-benzyl-3-[[(4s)-2-(2,2-dimethylpropyl)-6,6-dimethyl-5,7-dihydro-4h-indazol-2-ium-7a-ylium-4-yl]amino]-2-hydroxy-propyl]acetamide
Molecular Mass 440.621 g·mol−1
Heat of Formation -332.6 ± 16.7 kJ·mol−1
Dipole Moment 6.40 ± 1.08 D
Volume 594.13 Å 3
Surface Area 459.32 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 3.14 ± eV
Point Group Symmetry C1
InChIKey RUVGZLLBYDXKFE-WPFOTENUSA-N
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