Geometry & MOs

Info

ID:	70731
PubChem CID:	48413787
Reduced:	FON5C19H20 (1)
Stoich.:	ABC5D19E20 (1)
Weight, g/mol:	394.157581
ΔH_f, kcal/mol:	-3.69
Dipole, Da:	4.52
IP(EA), eV:	-9.25(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-6-(5-methylthiophen-2-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CNC(=O)C2=NN(C3=C2CCCC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations