Formula |
C16H19NO2 |
IUPAC Name |
[1-[(1s)-2-hydroxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-1-ium-2-ylium-3-yl]-phenyl-methanone |
Molecular Mass |
257.328 g·mol−1 |
Heat of Formation |
-207.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.29 ± 1.08 D |
Volume |
332.38 Å 3 |
Surface Area |
286.82 Å 2 |
HOMO Energy |
-8.56 ± 0.55 eV |
LUMO Energy |
-0.20 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- [1-[(1s)-2-hydroxy-1-methyl-ethyl]-2,5-dimethyl-pyrrol-3-yl]-phenyl-methanone
- [1-[(1s)-2-hydroxy-1-methylethyl]-2,5-dimethyl-3-pyrrolyl]-phenylmethanone
- [1-[(2s)-1-hydroxypropan-2-yl]-2,5-dimethyl-pyrrol-3-yl]-phenyl-methanone
- [1-[(2s)-1-hydroxypropan-2-yl]-2,5-dimethylpyrrol-3-yl]-phenylmethanone
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InChIKey |
SQHXEPLSVOTCES-LBPRGKRZSA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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