Geometry & MOs

Info

ID:

312792

PubChem CID:

126608674

Reduced:

N2F3H5C10 (3)

Stoich.:

A2B3C5D10 (3)

Weight, g/mol:

820.134369

ΔHf, kcal/mol:

-291.07

Dipole, Da:

10.02

IP(EA), eV:

-9.77(-2.31)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C)N=C3C(=N2)C4=NC5=C(C=C(C(=C5)C)C(F)(F)F)N=C4C6=NC7=C(C=C(C(=C7)C(F)(F)F)C(F)(F)F)N=C36

DOS

IR

Vibrations