Formula |
C18H19N3O4 |
IUPAC Name |
5-[3-(dimethylamino)propyl]-8-nitro-benzo[b][1,4]benzoxazepin-6-one |
Molecular Mass |
341.361 g·mol−1 |
Heat of Formation |
-109.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.35 ± 1.08 D |
Volume |
397.27 Å 3 |
Surface Area |
339.18 Å 2 |
HOMO Energy |
-8.70 ± 0.55 eV |
LUMO Energy |
-1.50 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 5-(3-dimethylaminopropyl)-8-nitro-6-benzo[b][1,4]benzoxazepinone
- 5-(3-dimethylaminopropyl)-8-nitro-benzo[b][1,4]benzoxazepin-6-one
- 5-(3-dimethylaminopropyl)-8-nitrobenzo[b][1,4]benzoxazepin-6-one
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InChIKey |
CGYWLLGTCBIGSR-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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