Formula |
C27H30Cl2N6O |
IUPAC Name |
[4-[5-amino-6-[(2,6-dichlorophenyl)methylamino]pyrazin-2-yl]phenyl]-[(2r)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone |
Molecular Mass |
525.473 g·mol−1 |
Heat of Formation |
89.1 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.65 ± 1.08 D |
Volume |
609.38 Å 3 |
Surface Area |
476.67 Å 2 |
HOMO Energy |
-8.45 ± 0.55 eV |
LUMO Energy |
2.30 ± eV |
Point Group Symmetry |
C1
|
InChIKey |
PVBCEWZVPUKFNT-HXUWFJFHSA-N |
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Elements |
H
C
Cl
O
N
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