Formula |
C21H31ClN2O |
IUPAC Name |
(1s)-2-[bis[(1r)-1-methylpropyl]amino]-1-[1-[(2-chlorophenyl)methyl]pyrrol-1-ium-2-ylium-2-yl]ethanol |
Molecular Mass |
362.937 g·mol−1 |
Heat of Formation |
-186.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.88 ± 1.08 D |
Volume |
470.65 Å 3 |
Surface Area |
369.74 Å 2 |
HOMO Energy |
-8.38 ± 0.55 eV |
LUMO Energy |
2.65 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
ZILPIBYANAFGMS-LZJOCLMNSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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