Formula |
C20H20ClNO2 |
IUPAC Name |
2-[(4-chlorophenyl)methyl]-4-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-2-ium-3-ylium-8-one |
Molecular Mass |
341.831 g·mol−1 |
Heat of Formation |
-129.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.57 ± 1.08 D |
Volume |
408.71 Å 3 |
Surface Area |
350.66 Å 2 |
HOMO Energy |
-8.26 ± 0.55 eV |
LUMO Energy |
-0.87 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-(4-chloro-benzyl)-8-ethoxy-1,3-dimethyl-2h-cyclohepta[c]pyrrol-4-one
- 2-(4-chlorobenzyl)-8-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-4-one
- 2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-4-cyclohepta[c]pyrrolone
- 2-[(4-chlorophenyl)methyl]-8-ethoxy-1,3-dimethyl-cyclohepta[c]pyrrol-4-one
- bas 04212423
- oprea1_051471
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InChIKey |
PTQJXFLYSQXYEP-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
N
O
Cl
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