Geometry & MOs

Info

ID:

297366

PubChem CID:

117616313

Reduced:

O2F3N7C26H30 (1)

Stoich.:

A2B3C7D26E30 (1)

Weight, g/mol:

569.043169

ΔHf, kcal/mol:

-162.24

Dipole, Da:

6.51

IP(EA), eV:

 -8.72(-0.83)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4,6-bis(trifluoromethyl)pyrazolo[3,4-d]pyrimidin-3-yl]amino]pentan-1-ol

Drug info:

PubChemData

Smile

C1[C@@H]([C@H]([C@H]([C@@H]1N2C=CC3=C(N=CN=C32)N)O)O)CNC4CC(C4)CCC5=NC6=C(N5)C=C(C=C6)C(F)(F)F

DOS

IR

Vibrations