Geometry & MOs

Info

ID:	361422
PubChem CID:	127303336
Reduced:	SO2N5C18H25 (1)
Stoich.:	AB2C5D18E25 (1)
Weight, g/mol:	376.201159
ΔH_f, kcal/mol:	-46.54
Dipole, Da:	3.51
IP(EA), eV:	-9.18(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidin-3-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CCCC1=CC(=O)N2C(=N1)SC(=N2)N3CCCC(C3)C(=O)N4CCCC4

DOS

IR

Vibrations