Geometry & MOs

Info

ID:	260933
PubChem CID:	103210071
Reduced:	ClIO3H14C15 (1)
Stoich.:	ABC3D14E15 (1)
Weight, g/mol:	276.133714
ΔH_f, kcal/mol:	-66.82
Dipole, Da:	6.53
IP(EA), eV:	-8.63(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butan-2-ylphenyl)-2-(2,2,2-trifluoroethoxy)ethanol

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)C(C2=CC(=C(C=C2)I)Cl)O

DOS

IR

Vibrations