Geometry & MOs

Info

ID:	376365
PubChem CID:	134222377
Reduced:	F3O3C19H23 (1)
Stoich.:	A3B3C19D23 (1)
Weight, g/mol:	486.104147
ΔH_f, kcal/mol:	-251.64
Dipole, Da:	2.38
IP(EA), eV:	-9.69(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-cyclohexyl-2-fluorophenyl)-1,3-difluoro-2-[(E)-1,1,2,3,4,4,4-heptafluorobut-2-enoxy]benzene

Drug info:

PubChemData

Smile

C=CC1COC(OC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations