Formula |
C16H14Br2N4O2 |
IUPAC Name |
4-[(3,5-dibromo-4-methoxy-phenyl)methyl]-2-(methylamino)-1h-imidazo[4,5-d]azepin-5-one |
Molecular Mass |
454.116 g·mol−1 |
Heat of Formation |
141.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.16 ± 1.08 D |
Volume |
411.82 Å 3 |
Surface Area |
349.97 Å 2 |
HOMO Energy |
-9.14 ± 0.55 eV |
LUMO Energy |
1.54 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 8-(3,5-dibromo-4-methoxy-benzyl)-2-methylamino-3h-imidazo[4,5-d]azepin-7-one
- 8-[(3,5-dibromo-4-methoxy-phenyl)methyl]-2-methylamino-3h-imidazo[4,5-d]azepin-7-one
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InChIKey |
KRAXBUZDPZIHER-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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