| Formula |
C20H21N3O |
| IUPAC Name |
(12r)-12-[(2-methylimidazol-1-yl)methyl]-1-azatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8,10(15)-tetraen-11-one |
| Molecular Mass |
319.400 g·mol−1 |
| Heat of Formation |
86.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
11.41 ± 1.08 D |
| Volume |
388.94 Å 3 |
| Surface Area |
328.65 Å 2 |
| HOMO Energy |
-8.55 ± 0.55 eV |
| LUMO Energy |
2.68 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- calmactin
- cilansetron (usan)
- d03495
- du-123265
- kc-9946
|
| InChIKey |
NCNFDKWULDWJDS-OAHLLOKOSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
Wikipedia
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|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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|
