Geometry & MOs

Info

ID:	353638
PubChem CID:	127285215
Reduced:	OSN4C20H28 (1)
Stoich.:	ABC4D20E28 (1)
Weight, g/mol:	362.185509
ΔH_f, kcal/mol:	-16.38
Dipole, Da:	4.28
IP(EA), eV:	-8.41(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)piperidin-4-yl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N=CN=C3S2)NCC4(CCOCC4)N5CCCC5

DOS

IR

Vibrations