| Formula |
C22H16N2O |
| IUPAC Name |
1-benzo[b]pyren-6-yl-3-methyl-urea |
| Molecular Mass |
324.375 g·mol−1 |
| Heat of Formation |
175.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.44 ± 1.08 D |
| Volume |
374.86 Å 3 |
| Surface Area |
328.72 Å 2 |
| HOMO Energy |
-8.03 ± 0.55 eV |
| LUMO Energy |
2.69 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 1-(6-benzo[b]pyrenyl)-3-methylurea
- 1-benzo[b]pyren-6-yl-3-methylurea
|
| InChIKey |
BRZOCLVBOXAQBG-UHFFFAOYSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
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|
| Elements |
H
C
O
N
|
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