Geometry & MOs

Info

ID:	68220
PubChem CID:	46507988
Reduced:	O2N3F4H11C17 (1)
Stoich.:	A2B3C4D11E17 (1)
Weight, g/mol:	447.18413
ΔH_f, kcal/mol:	-202.8
Dipole, Da:	6.93
IP(EA), eV:	-9.18(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=CC=C1C2=C(C=NN2)C(=O)NC3=CC=C(C=C3)OC(F)(F)F)F

DOS

IR

Vibrations