Geometry & MOs

Info

ID:	224927
PubChem CID:	85730909
Reduced:	F2O2C23H24 (1)
Stoich.:	A2B2C23D24 (1)
Weight, g/mol:	384.190086
ΔH_f, kcal/mol:	-107.55
Dipole, Da:	3.12
IP(EA), eV:	-9.2(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[2-(3,4-difluorophenyl)ethynyl]phenyl]-5-hexyl-1,3-dioxane

Drug info:

PubChemData

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CCCCCC1COC(OC1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)F)F

DOS

IR

Vibrations