Geometry & MOs

Info

ID:	200820
PubChem CID:	79448797
Reduced:	FSO3C12H17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	266.092992
ΔH_f, kcal/mol:	-175.58
Dipole, Da:	2.56
IP(EA), eV:	-9.69(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-fluorophenyl)-4-(2,2,2-trifluoroethoxy)butan-1-ol

Drug info:

PubChemData

Smile

CCS(=O)(=O)CCC(CO)C1=CC=CC=C1F

DOS

IR

Vibrations