Geometry & MOs

Info

ID:	376359
PubChem CID:	134222370
Reduced:	O3F5C28H33 (1)
Stoich.:	A3B5C28D33 (1)
Weight, g/mol:	522.199349
ΔH_f, kcal/mol:	-373.65
Dipole, Da:	5.84
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(OC1)C2CCC(CC2)C3=CC(=C(C=C3)C(OC4=CC(=C(C=C4)OCF)F)(F)F)F

DOS

IR

Vibrations