Geometry & MOs

Info

ID:	376772
PubChem CID:	134222798
Reduced:	O2F7H23C28 (1)
Stoich.:	A2B7C23D28 (1)
Weight, g/mol:	522.199349
ΔH_f, kcal/mol:	-357.49
Dipole, Da:	7.59
IP(EA), eV:	-9.51(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-[4-[4-(ethoxymethyl)cyclohexyl]phenyl]phenyl]-difluoromethoxy]-2-fluoro-1-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CCOCC1CCC(=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