4-{(2S)-2-Hydroxy-3-[(2-Methyl-2-Propanyl)Amino]Propoxy}-3-Iodo-1H-Indole-2-Carbonitrile
Properties
Property | Value |
---|---|
Formula | C16H20IN3O2 |
IUPAC Name | 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-3-iodo-1h-indole-2-carbonitrile |
Molecular Mass | 413.253 g·mol−1 |
Heat of Formation | -58.0 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.36 ± 1.08 D |
Volume | 409.6 Å 3 |
Surface Area | 347.89 Å 2 |
HOMO Energy | -8.56 ± 0.55 eV |
LUMO Energy | -0.94 ± eV |
Point Group Symmetry | C1 |
InChIKey | JBLUMBNIBNHRSO-JTQLQIEISA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
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Elements | I H C O N |