Geometry & MOs

Info

ID:	426856
PubChem CID:	135154181
Reduced:	OCl2S2F3N3H6C11 (1)
Stoich.:	AB2C2D3E3F6G11 (1)
Weight, g/mol:	363.169525
ΔH_f, kcal/mol:	-136.2
Dipole, Da:	3.57
IP(EA), eV:	-9.81(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(1,5-dimethyl-3-oxo-2H-pyrazolo[3,4-b]pyridin-6-yl)piperidin-4-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C1=C(C=C(C=C1Cl)Cl)NC(=O)C2=C(N=NS2)CSC(F)(F)F

DOS

IR

Vibrations