Geometry & MOs

Info

ID:

147344

PubChem CID:

53787000

Reduced:

NO2C17H21 (1)

Stoich.:

AB2C17D21 (1)

Weight, g/mol:

1412.408139

ΔHf, kcal/mol:

-46.39

Dipole, Da:

2.61

IP(EA), eV:

-8.83(0.04)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;4-methyl-1-[4-methyl-2-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC12CCN(C(C1=O)CC3=C2C=C(C=C3)O)CC4CC4

DOS

IR

Vibrations