Formula |
C26H24ClN5O |
IUPAC Name |
2-[1-[(6-chloro-3,3-dimethyl-4h-isoquinolin-1-yl)amino]-2-phenyl-ethyl]-3h-pyrido[4,3-d]pyrimidin-4-one |
Molecular Mass |
457.955 g·mol−1 |
Heat of Formation |
186.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.73 ± 1.08 D |
Volume |
537.4 Å 3 |
Surface Area |
414.89 Å 2 |
HOMO Energy |
-9.55 ± 0.55 eV |
LUMO Energy |
1.86 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
DQYKHJYAOKSEPD-QFIPXVFZSA-O |
QR Code |
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Links |
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Elements |
H
C
Cl
O
N
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