Geometry & MOs

Info

ID:

312793

PubChem CID:

126608675

Reduced:

ClF3N3H12C22 (2)

Stoich.:

AB3C3D12E22 (2)

Weight, g/mol:

924.168239

ΔHf, kcal/mol:

-76.3

Dipole, Da:

0.85

IP(EA), eV:

 -9.85(-1.73)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[4-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-2,3,5,6-tetrafluorophenyl]-2,3,5,6-tetrafluorophenyl]-4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=NC(=N2)C3=CC(=C(C(=C3)C(F)(F)F)C4=C(C=C(C=C4Cl)C5=NC(=NC(=N5)C6=CC=CC=C6)C7=CC=CC=C7)Cl)C(F)(F)F)C8=CC=CC=C8

DOS

IR

Vibrations