Geometry & MOs

Info

ID:

149280

PubChem CID:

53788952

Reduced:

N3O4C25H27 (1)

Stoich.:

A3B4C25D27 (1)

Weight, g/mol:

716.383956

ΔHf, kcal/mol:

-137.83

Dipole, Da:

6.82

IP(EA), eV:

 -8.87(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1,3-difluoro-5-[4-(4-methylcyclohexyl)cyclohexyl]-2-(trifluoromethoxy)benzene;1-[4-(4-methylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

C[C@@](C1=NC=C2C(=C1)C3=CC=CC=C3N2)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

DOS

IR

Vibrations