Geometry & MOs

Info

ID:	376780
PubChem CID:	134222806
Reduced:	O3F9C29H31 (1)
Stoich.:	A3B9C29D31 (1)
Weight, g/mol:	542.261949
ΔH_f, kcal/mol:	-572.11
Dipole, Da:	8.96
IP(EA), eV:	-9.7(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations