Geometry & MOs

Info

ID:	376322
PubChem CID:	134222333
Reduced:	Cl2O2F5H17C23 (1)
Stoich.:	A2B2C5D17E23 (1)
Weight, g/mol:	370.175579
ΔH_f, kcal/mol:	-293.23
Dipole, Da:	7.65
IP(EA), eV:	-9.45(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]cyclohexyl]-5-[(E)-prop-1-enyl]-1,3-dioxane

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations