Geometry & MOs

Info

ID:	376345
PubChem CID:	134222356
Reduced:	O2F9H19C29 (1)
Stoich.:	A2B9C19D29 (1)
Weight, g/mol:	484.202543
ΔH_f, kcal/mol:	-438.16
Dipole, Da:	9.93
IP(EA), eV:	-9.64(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-[4-(fluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-(4-propylcyclohexen-1-yl)phenyl]benzene

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)C2=CC(=C(C(=C2)F)C3=CC(=C(C(=C3)F)C(OC4=CC(=C(C(=C4)F)OCF)F)(F)F)F)F

DOS

IR

Vibrations