Formula |
C20H23N3O2 |
IUPAC Name |
(1s,2r)-1-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-yl)-3,3-dimethyl-1-(4-phenylphenoxy)butan-2-ol |
Molecular Mass |
337.416 g·mol−1 |
Heat of Formation |
-24.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.34 ± 1.08 D |
Volume |
420.42 Å 3 |
Surface Area |
355.96 Å 2 |
HOMO Energy |
-9.27 ± 0.55 eV |
LUMO Energy |
-0.41 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- (1s,2r)-3,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol
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CAS Number(s) |
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InChIKey |
VGPIBGGRCVEHQZ-OALUTQOASA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
N
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