Formula |
C32H31ClN4O5 |
IUPAC Name |
2-[[1-(7-chloro-4-quinolyl)-5-(2,6-dimethoxyphenyl)pyrazole-3-carbonyl]amino]adamantane-2-carboxylic acid |
Molecular Mass |
587.065 g·mol−1 |
Heat of Formation |
-441.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.42 ± 1.08 D |
Volume |
648.72 Å 3 |
Surface Area |
494.53 Å 2 |
HOMO Energy |
-9.39 ± 0.55 eV |
LUMO Energy |
-1.39 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DYLJVOXRWLXDIG-LWXMPVTCSA-N |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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