Geometry & MOs

Info

ID:	155101
PubChem CID:	56320687
Reduced:	SO3N4C20H22 (1)
Stoich.:	AB3C4D20E22 (1)
Weight, g/mol:	402.216809
ΔH_f, kcal/mol:	-46.17
Dipole, Da:	1.75
IP(EA), eV:	-8.99(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=NN1)CCCNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations