Formula |
C27H34N4O3 |
IUPAC Name |
(4r)-n1,n1-diethyl-n4-[6-methoxy-2-[(e)-2-(4-nitrophenyl)vinyl]quinolin-1-ium-4a-id-4-yl]pentane-1,4-diamine |
Molecular Mass |
462.584 g·mol−1 |
Heat of Formation |
33.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
8.61 ± 1.08 D |
Volume |
587.92 Å 3 |
Surface Area |
486.26 Å 2 |
HOMO Energy |
-8.22 ± 0.55 eV |
LUMO Energy |
-1.35 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
XWBADQOPXPRKBX-RGFVMQALSA-N |
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Elements |
H
C
O
N
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