Geometry & MOs

Info

ID:

439619

PubChem CID:

135229405

Reduced:

NOH37C57 (1)

Stoich.:

ABC37D57 (1)

Weight, g/mol:

369.162332

ΔHf, kcal/mol:

207.31

Dipole, Da:

0.75

IP(EA), eV:

 -8.18(-0.69)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-(5-pyrimidin-2-ylpyridin-2-yl)piperidin-4-yl]-2-(1,3-thiazolidin-3-yl)ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)N(C3=CC=CC=C3)C4=CC=CC5=C4C6=CC=CC=C6C57C8=C(C9=CC=CC=C9C=C8)OC1=C7C=CC2=CC=CC=C21)C1=CC=CC=C1

DOS

IR

Vibrations