Geometry & MOs

Info

ID:	146916
PubChem CID:	53771411
Reduced:	O2F6C9H10 (1)
Stoich.:	A2B6C9D10 (1)
Weight, g/mol:	722.466149
ΔH_f, kcal/mol:	-404.29
Dipole, Da:	4.81
IP(EA), eV:	-11.2(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-4-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-1-(trifluoromethyl)benzene;1-[2-[4-(4-methylcyclohexyl)cyclohexyl]ethyl]-4-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCCOC(=O)C(=C)C(C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations