Geometry & MOs

Info

ID:	143276
PubChem CID:	53177497
Reduced:	ClN3O3H16C22 (1)
Stoich.:	AB3C3D16E22 (1)
Weight, g/mol:	396.103397
ΔH_f, kcal/mol:	-54.4
Dipole, Da:	2.29
IP(EA), eV:	-9.27(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,5-difluorophenyl)-6-hydroxy-1-(4-methylphenyl)-4-oxo-2H-pyrazolo[3,4-b]pyridine-5-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3=C(C=CC=N3)C(=O)C(=C2O)C(=O)NC4=CC=C(C=C4)Cl

DOS

IR

Vibrations