Formula |
C26H23ClN4O |
IUPAC Name |
4-[4-[1-[(6-amino-2-pyridyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenoxy]butanenitrile |
Molecular Mass |
442.940 g·mol−1 |
Heat of Formation |
274.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.31 ± 1.08 D |
Volume |
525.73 Å 3 |
Surface Area |
433.41 Å 2 |
HOMO Energy |
-8.52 ± 0.55 eV |
LUMO Energy |
2.79 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[4-[1-[(6-amino-2-pyridyl)methyl]-5-(2-chlorophenyl)-2-pyrrolyl]phenoxy]butanenitrile
- 4-[4-[1-[(6-amino-2-pyridyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenoxy]butanenitrile
- 4-[4-[1-[(6-amino-2-pyridyl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenoxy]butyronitrile
- 4-[4-[1-[(6-aminopyridin-2-yl)methyl]-5-(2-chlorophenyl)pyrrol-2-yl]phenoxy]butanenitrile
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InChIKey |
CERJQPWNRISSQS-UHFFFAOYSA-N |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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