Geometry & MOs

Info

ID:	257628
PubChem CID:	103147470
Reduced:	ClF3O3C13H16 (1)
Stoich.:	AB3C3D13E16 (1)
Weight, g/mol:	344.0035
ΔH_f, kcal/mol:	-291.87
Dipole, Da:	2.41
IP(EA), eV:	-8.82(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)CC(CCOCC(F)(F)F)O

DOS

IR

Vibrations