Geometry & MOs

Info

ID:	135342
PubChem CID:	51854019
Reduced:	ON6C24H28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	432.227374
ΔH_f, kcal/mol:	52.78
Dipole, Da:	6.83
IP(EA), eV:	-8.88(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-methoxyphenyl)-1,3-dimethyl-N-[(3R)-3-pyrazol-1-ylpentyl]pyrazolo[3,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)[C@H](C)NC(=O)C2=C3C(=NN(C3=NC(=C2)C)CC4=CC=CC=C4)C

DOS

IR

Vibrations