Geometry & MOs

Info

ID:	376733
PubChem CID:	134222758
Reduced:	O2F7C23H23 (1)
Stoich.:	A2B7C23D23 (1)
Weight, g/mol:	432.152399
ΔH_f, kcal/mol:	-411.97
Dipole, Da:	7.87
IP(EA), eV:	-9.85(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[4-(ethoxymethyl)cyclohexyl]-2-fluorophenyl]-difluoromethoxy]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CCOCC1CCC(CC1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)CF)F)(F)F)F

DOS

IR

Vibrations