Geometry & MOs

Info

ID:	376324
PubChem CID:	134222335
Reduced:	O3F4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	446.168049
ΔH_f, kcal/mol:	-294.29
Dipole, Da:	4.63
IP(EA), eV:	-9.74(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[difluoro-[2-fluoro-4-(4-propylcyclohexyl)phenyl]methoxy]-1,3-difluoro-2-(fluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCCCCC1COC(OC1)C2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)OCF)F)F

DOS

IR

Vibrations