Formula |
C22H22ClN3O |
IUPAC Name |
5-chloro-2-[3-[(1r)-4-phenyl-3,6-dihydro-2h-pyridin-1-yl]propyl]quinazolin-1-ium-4-one |
Molecular Mass |
379.883 g·mol−1 |
Heat of Formation |
69.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
11.35 ± 1.08 D |
Volume |
449.52 Å 3 |
Surface Area |
364.93 Å 2 |
HOMO Energy |
-8.94 ± 0.55 eV |
LUMO Energy |
2.45 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- (
- )
- ,
- -
- 1
- 2
- 3
- 4
- 5
- 6
- [
- ]
- a
- c
- d
- e
- h
- i
- l
- n
- o
- p
- q
- r
- u
- y
- z
|
InChIKey |
QJGMBDBIOLISMH-UHFFFAOYSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
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DOI |
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Downloads |
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|
Elements |
H
C
N
O
Cl
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