Geometry & MOs

Info

ID:	376304
PubChem CID:	134222314
Reduced:	OF3C24H33 (1)
Stoich.:	AB3C24D33 (1)
Weight, g/mol:	492.072705
ΔH_f, kcal/mol:	-202.32
Dipole, Da:	3.69
IP(EA), eV:	-9.62(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3-fluoro-5-(2-fluoro-4-propylphenyl)benzene

Drug info:

PubChemData

Smile

CCCC1CCC(CC1)/C=C/C2CCC(CC2)C3=CC(=C(C(=C3)F)OCF)F

DOS

IR

Vibrations