Geometry & MOs

Info

ID:	244094
PubChem CID:	99313641
Reduced:	BrN2O3H13C17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	407.141596
ΔH_f, kcal/mol:	-56.9
Dipole, Da:	1.37
IP(EA), eV:	-8.61(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2,5-dimethylthiophen-3-yl)-N-(2-oxo-1H-pyridin-3-yl)-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC(=C2Br)OCC(=O)NC3=CC=CNC3=O

DOS

IR

Vibrations