Geometry & MOs

Info

ID:	376318
PubChem CID:	134222328
Reduced:	O2F5C23H23 (1)
Stoich.:	A2B5C23D23 (1)
Weight, g/mol:	430.156735
ΔH_f, kcal/mol:	-299.51
Dipole, Da:	5.94
IP(EA), eV:	-9.56(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCC1CCC(=CC1)C2=CC=C(C=C2)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F

DOS

IR

Vibrations