Geometry & MOs

Info

ID:	376328
PubChem CID:	134222339
Reduced:	N2O2F7H15C21 (1)
Stoich.:	A2B2C7D15E21 (1)
Weight, g/mol:	482.132806
ΔH_f, kcal/mol:	-340.81
Dipole, Da:	9.62
IP(EA), eV:	-9.6(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-2-[4-[[3,5-difluoro-4-(fluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane

Drug info:

PubChemData

Smile

CCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)C(OC3=CC(=C(C(=C3)F)OCF)F)(F)F)F

DOS

IR

Vibrations