Geometry & MOs

Info

ID:	257645
PubChem CID:	103147588
Reduced:	SN2O2F3C11H13 (1)
Stoich.:	AB2C2D3E11F13 (1)
Weight, g/mol:	224.122401
ΔH_f, kcal/mol:	-201.27
Dipole, Da:	7.23
IP(EA), eV:	-9.09(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(oxan-4-yl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CSC2=NC(=CN21)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations