Geometry & MOs

Info

ID:	355806
PubChem CID:	127290658
Reduced:	SO2N6C15H18 (1)
Stoich.:	AB2C6D15E18 (1)
Weight, g/mol:	389.163394
ΔH_f, kcal/mol:	26.45
Dipole, Da:	5.41
IP(EA), eV:	-9.11(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]sulfonylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CN1C=CN=C1CN2CCN(CC2)S(=O)(=O)C3=CN=C(C=C3)C#N

DOS

IR

Vibrations