1-[4-[(1R,3Z)-1-(2-Methylcyclohexyl)-3-(2-Methylpiperidine-2,3,5,6-Tetraid-4-Ylidene)-3-Nitroso-Propyl]Cyclohexyl]Piperidine-4-Carboxylic Acid

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Properties Simple | Detailed

Formula C28H48N3O3+
IUPAC Name 1-[4-[(1r,3z)-1-(2-methylcyclohexyl)-3-(2-methylpiperidine-2,3,5,6-tetraid-4-ylidene)-3-nitroso-propyl]cyclohexyl]piperidine-4-carboxylic acid
Molecular Mass 474.699 g·mol−1
Heat of Formation -98.5 ± 16.7 kJ·mol−1
Dipole Moment 8.19 ± 1.08 D
Volume 561.35 Å 3
Surface Area 458.66 Å 2
HOMO Energy -7.91 ± 0.55 eV
LUMO Energy -0.98 ± eV
Point Group Symmetry C1
InChIKey IQMLIRKVEHPVOP-YXPVVENMSA-O
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