Tcmdc-124142

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Formula C21H24BrNO3
IUPAC Name ethyl (4r)-4-(4-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
Molecular Mass 418.324 g·mol−1
Heat of Formation -475.2 ± 16.7 kJ·mol−1
Dipole Moment 9.16 ± 1.08 D
Volume 456.85 Å 3
Surface Area 368.13 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
InChIKey WOXHNBDGNUVWNG-SFHVURJKSA-N
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Elements H C O Br N