Geometry & MOs

Info

ID:

228469

PubChem CID:

87564687

Reduced:

ClN3O3F5C25H27 (1)

Stoich.:

AB3C3D5E25F27 (1)

Weight, g/mol:

585.1411

ΔHf, kcal/mol:

-366.21

Dipole, Da:

4.31

IP(EA), eV:

 -8.58(-1.51)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[2-(2,3-difluorophenyl)-4,6-dihydroimidazo[4,5-d]pyridazin-5-yl]methyl]-3-[4-(4,4,4-trifluorobutoxy)-2-(trifluoromethyl)phenyl]-1,2-oxazole

Drug info:

PubChemData

Smile

CCN(CC)C1CC(C1)CN2C3=CC(=CC(=C3C(C2=O)(C4=C(C=CC=C4F)F)O)C(F)(F)F)C(=O)N.Cl

DOS

IR

Vibrations