Formula |
C26H26N2O3 |
IUPAC Name |
(2s)-3-[4-[3-(5-methyl-2-phenyl-oxazol-4-yl)propyl]phenyl]-2-(2h-pyrrol-1-ium-2-ylium-1-yl)propanoic acid |
Molecular Mass |
414.496 g·mol−1 |
Heat of Formation |
-174.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.59 ± 1.08 D |
Volume |
514.16 Å 3 |
Surface Area |
457.2 Å 2 |
HOMO Energy |
-8.92 ± 0.55 eV |
LUMO Energy |
-0.90 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
QPJVYLQOALFBLJ-DEOSSOPVSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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