Formula |
C26H30N4O2 |
IUPAC Name |
4-[2-[5-(3,5-dimethylisoxazol-1-ium-2-id-4-yl)-2-(2-phenylethyl)benzimidazol-1-ium-3-id-1-yl]ethyl]morpholine |
Molecular Mass |
430.542 g·mol−1 |
Heat of Formation |
117.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.91 ± 1.08 D |
Volume |
539.17 Å 3 |
Surface Area |
452.86 Å 2 |
HOMO Energy |
-8.81 ± 0.55 eV |
LUMO Energy |
2.71 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZVYCZICBBIUVHC-UHFFFAOYSA-N |
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Links |
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Elements |
H
C
O
N
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