Geometry & MOs

Info

ID:	320427
PubChem CID:	126660835
Reduced:	ON3H9C12 (1)
Stoich.:	AB3C9D12 (1)
Weight, g/mol:	325.136117
ΔH_f, kcal/mol:	73.18
Dipole, Da:	0.9
IP(EA), eV:	-9.78(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclopentyl-3-[5-(6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,3-thiazol-2-yl]propanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C#N)CCC#N)OCC#N

DOS

IR

Vibrations