Formula |
C23H27F3N2O2 |
IUPAC Name |
(3s,4s)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-3-methyl-6-(trifluoromethyl)-4,5-dihydro-3h-1-benzazepin-2-one |
Molecular Mass |
420.468 g·mol−1 |
Heat of Formation |
-862.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.87 ± 1.08 D |
Volume |
492.87 Å 3 |
Surface Area |
407.17 Å 2 |
HOMO Energy |
-8.82 ± 0.55 eV |
LUMO Energy |
-0.76 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZBCRNIFALVNVKY-YJBOKZPZSA-N |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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