Geometry & MOs

Info

ID:	230016
PubChem CID:	87569878
Reduced:	ClO3F4N9H18C24 (1)
Stoich.:	AB3C4D9E18F24 (1)
Weight, g/mol:	292.114423
ΔH_f, kcal/mol:	-108.01
Dipole, Da:	3.58
IP(EA), eV:	-9.05(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethynyl-3-pyrazolo[3,4-d]pyrimidin-1-ylphenyl)-trimethylsilane

Drug info:

PubChemData

Smile

C1CN(C[C@H]1[C@H](CC#N)N2C=C(C=N2)C3=C4C=CNC4=NC=N3)C5=NC(=C(C=C5N(C=O)OC(=O)C(F)(F)F)F)Cl

DOS

IR

Vibrations