Geometry & MOs

Info

ID:	376785
PubChem CID:	134222811
Reduced:	O2F7C28H31 (1)
Stoich.:	A2B7C28D31 (1)
Weight, g/mol:	508.183699
ΔH_f, kcal/mol:	-419.62
Dipole, Da:	8.86
IP(EA), eV:	-9.69(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-difluorophenyl)-4-[[4-[4-(ethoxymethyl)cyclohexyl]-2-fluorophenyl]-difluoromethoxy]-2-fluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)F)F)(F)F)F

DOS

IR

Vibrations