Geometry & MOs

Info

ID:	227314
PubChem CID:	87561214
Reduced:	AsN3O3C28H34 (1)
Stoich.:	AB3C3D28E34 (1)
Weight, g/mol:	288.038512
ΔH_f, kcal/mol:	13.91
Dipole, Da:	8.32
IP(EA), eV:	-8.46(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1,1,3,3,3-hexafluoro-2-[4-(1-fluoroethenyl)phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C)CCN1C=NC2=CC=CC=C21.COC1=CC=C(C=C1)CNC2=C(C=CC(=C2)C(C[As])O)O

DOS

IR

Vibrations