Geometry & MOs

Info

ID:	376759
PubChem CID:	134222785
Reduced:	O2F7H27C29 (1)
Stoich.:	A2B7C27D29 (1)
Weight, g/mol:	514.230649
ΔH_f, kcal/mol:	-380.32
Dipole, Da:	9.65
IP(EA), eV:	-9.63(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3,4-difluorophenoxy)-difluoromethyl]-5-[4-[4-(ethoxymethyl)cyclohexyl]cyclohexyl]-1,3-difluorobenzene

Drug info:

PubChemData

Smile

CCCOCC1CCC(CC1)C2=CC=C(C=C2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations