Formula |
C20H12Cl2N4O2 |
IUPAC Name |
3-chloro-5-[2-chloro-5-(pyrazolo[3,4-b]pyridin-1-ium-2-id-3-ylmethoxy)phenoxy]benzonitrile |
Molecular Mass |
411.241 g·mol−1 |
Heat of Formation |
244.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.13 ± 1.08 D |
Volume |
437.75 Å 3 |
Surface Area |
350.23 Å 2 |
HOMO Energy |
-9.50 ± 0.55 eV |
LUMO Energy |
-1.52 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (
- )
- ,
- -
- 2
- 3
- 4
- 5
- [
- ]
- a
- b
- c
- d
- e
- h
- i
- l
- m
- n
- o
- p
- r
- t
- x
- y
- z
|
InChIKey |
SVMHTBVIPYVDIL-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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|
Elements |
H
C
N
O
Cl
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