Geometry & MOs

Info

ID:	376744
PubChem CID:	134222770
Reduced:	O2F7C23H23 (1)
Stoich.:	A2B7C23D23 (1)
Weight, g/mol:	464.158627
ΔH_f, kcal/mol:	-404.78
Dipole, Da:	7.58
IP(EA), eV:	-9.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[difluoro-(3,4,5-trifluorophenoxy)methyl]-1,3-difluoro-5-[4-(propoxymethyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CCOCCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)F)F)(F)F)F

DOS

IR

Vibrations