Formula |
C11H13BrN2O |
IUPAC Name |
2-bromo-1-(6,7,8,9-tetrahydropyrido[3,2-b]azepin-5-yl)ethanone |
Molecular Mass |
269.138 g·mol−1 |
Heat of Formation |
-85.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.59 ± 1.08 D |
Volume |
265.18 Å 3 |
Surface Area |
229.05 Å 2 |
HOMO Energy |
-9.42 ± 0.55 eV |
LUMO Energy |
-0.51 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 1-bromoacetyl-2,3,4,5-tetrahydro-1h-pyrido(3,2-b)azepine
|
InChIKey |
RDRYJVYHQCKKDP-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
Br
N
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