Geometry & MOs

Info

ID:

425841

PubChem CID:

135128261

Reduced:

NH41C50 (1)

Stoich.:

AB41C50 (1)

Weight, g/mol:

374.152495

ΔHf, kcal/mol:

167.76

Dipole, Da:

1.88

IP(EA), eV:

 -7.83(-0.55)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

Drug info:

PubChemData

Smile

CC1(C2=C(C=CC(=C2)/C(=C/C3=CC=CC=C3)/C4=CC=CC=C4)C5=C1C6=C(C=C5)C7=C(C6(C)C)C=C(C=C7)N(C8=CC=CC=C8)C9=CC=CC=C9)C

DOS

IR

Vibrations