| Formula |
C16H21N3O2 |
| IUPAC Name |
4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]indol-1-ium-2-carbonitrile |
| Molecular Mass |
287.357 g·mol−1 |
| Heat of Formation |
-142.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.08 ± 1.08 D |
| Volume |
368.51 Å 3 |
| Surface Area |
301.96 Å 2 |
| HOMO Energy |
-8.82 ± 0.55 eV |
| LUMO Energy |
-0.82 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 4-[(2s)-3-(tert-butylamino)-2-hydroxy-propoxy]-1h-indole-2-carbonitrile
- 4-[(2s)-3-(tert-butylamino)-2-hydroxypropoxy]-1h-indole-2-carbonitrile
- biomol-nt_000119
- bpbio1_000309
- pdsp1_001708
- pdsp2_001691
|
| InChIKey |
QXIUMMLTJVHILT-LBPRGKRZSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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