Geometry & MOs

Info

ID:	376368
PubChem CID:	134222380
Reduced:	OF4C24H28 (1)
Stoich.:	AB4C24D28 (1)
Weight, g/mol:	466.137892
ΔH_f, kcal/mol:	-229.9
Dipole, Da:	4.94
IP(EA), eV:	-9.56(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-propyloxane

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)CCC2=CC(=C(C=C2)C3=CC(=C(C(=C3)F)OCF)F)F

DOS

IR

Vibrations