Geometry & MOs

Info

ID:	299869
PubChem CID:	117763072
Reduced:	ON2C10H20 (1)
Stoich.:	AB2C10D20 (1)
Weight, g/mol:	594.236877
ΔH_f, kcal/mol:	-53.13
Dipole, Da:	2.43
IP(EA), eV:	-8.72(1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[difluoro-[4-(trifluoromethoxy)phenoxy]methyl]cyclohexyl]-2-fluoro-4-[2-fluoro-4-(4-methylcyclohexyl)phenyl]benzene

Drug info:

PubChemData

Smile

COC1CNCC1N2CCCCC2

DOS

IR

Vibrations