Formula |
C15H18ClN3O |
IUPAC Name |
(2r,3r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-2-(4-chlorophenyl)-3-cyclopropyl-butan-2-ol |
Molecular Mass |
291.776 g·mol−1 |
Heat of Formation |
100.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.36 ± 1.08 D |
Volume |
354.76 Å 3 |
Surface Area |
290.04 Å 2 |
HOMO Energy |
-9.66 ± 0.55 eV |
LUMO Energy |
-0.33 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
UFNOUKDBUJZYDE-IAQYHMDHSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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