Geometry & MOs

Info

ID:

184723

PubChem CID:

77198427

Reduced:

FON3C31H34 (1)

Stoich.:

ABC3D31E34 (1)

Weight, g/mol:

579.187558

ΔHf, kcal/mol:

-7.87

Dipole, Da:

5.34

IP(EA), eV:

 -7.85(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-methyl-2-[[5-oxo-2-[4-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-yl]amino]butyl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CC1C2=CNN(C2=CC3=C1C(CC3)C(=O)N4CCCC(C4)CCC5=CC=CC=C5)C6=CC=C(C=C6)F

DOS

IR

Vibrations