Geometry & MOs

Info

ID:

181982

PubChem CID:

76822659

Reduced:

OCl2N6F7H9C18 (1)

Stoich.:

AB2C6D7E9F18 (1)

Weight, g/mol:

545.135399

ΔHf, kcal/mol:

-278.35

Dipole, Da:

2.57

IP(EA), eV:

 -9.36(-1.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-N-[(6-chloropyridin-3-yl)methyl]-6-N-(4-fluoro-3-methylphenyl)-4-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]pyrimidine-2,4,6-triamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC2=C(C(=NC(=N2)Cl)NN=CC3=CN=C(C=C3)OC(F)(F)F)Cl)C(F)(F)F)F

DOS

IR

Vibrations