Geometry & MOs

Info

ID:	374499
PubChem CID:	131330553
Reduced:	FSO3C10H11 (1)
Stoich.:	ABC3D10E11 (1)
Weight, g/mol:	224.046042
ΔH_f, kcal/mol:	-161.9
Dipole, Da:	3.66
IP(EA), eV:	-9.38(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1C(C(=O)O)O)SC)F

DOS

IR

Vibrations