Geometry & MOs

Info

ID:	376400
PubChem CID:	134222412
Reduced:	NO2F7H20C28 (1)
Stoich.:	AB2C7D20E28 (1)
Weight, g/mol:	586.287021
ΔH_f, kcal/mol:	-334.98
Dipole, Da:	9.11
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[difluoro-[3-fluoro-4-(fluoromethoxy)phenoxy]methyl]-2-fluoro-4-[4-[4-(4-propylcyclohexyl)cyclohexyl]phenyl]benzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations