Geometry & MOs

Info

ID:	257653
PubChem CID:	103147760
Reduced:	BrO2F3C12H14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	244.127486
ΔH_f, kcal/mol:	-229.57
Dipole, Da:	4.29
IP(EA), eV:	-9.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,2-difluoroethoxy)-1-(3,5-dimethylphenyl)propan-1-ol

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1F)CC(CCOCC(F)F)O)Br

DOS

IR

Vibrations