Geometry & MOs

Info

ID:	344978
PubChem CID:	127268738
Reduced:	SO2N4C17H24 (1)
Stoich.:	AB2C4D17E24 (1)
Weight, g/mol:	391.204196
ΔH_f, kcal/mol:	-28.24
Dipole, Da:	5.73
IP(EA), eV:	-9.0(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(2,5-dimethylpyrrolidin-1-yl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC1CCC(N1C2CCCN(C2)S(=O)(=O)C3=CN=C(C=C3)C#N)C

DOS

IR

Vibrations