Geometry & MOs

Info

ID:	361424
PubChem CID:	127303338
Reduced:	ON4C19H24 (1)
Stoich.:	AB4C19D24 (1)
Weight, g/mol:	330.180424
ΔH_f, kcal/mol:	-1.28
Dipole, Da:	7.11
IP(EA), eV:	-8.45(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CCN(C1)C(=O)C2CCCN(C2)C3=C(C=C4CCCC4=N3)C#N

DOS

IR

Vibrations