Geometry & MOs

Info

ID:	352535
PubChem CID:	127283623
Reduced:	FSN2O3C18H23 (1)
Stoich.:	ABC2D3E18F23 (1)
Weight, g/mol:	326.210661
ΔH_f, kcal/mol:	-140.99
Dipole, Da:	5.63
IP(EA), eV:	-9.37(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1,6-di(propan-2-yl)pyrazolo[3,4-b]pyridin-4-yl]-(4-methylidenepiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

C=C1CCN(CC1)C(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

DOS

IR

Vibrations