Geometry & MOs

Info

ID:	257652
PubChem CID:	103147745
Reduced:	O3F5C12H13 (1)
Stoich.:	A3B5C12D13 (1)
Weight, g/mol:	326.01293
ΔH_f, kcal/mol:	-381.9
Dipole, Da:	5.64
IP(EA), eV:	-9.89(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-bromo-5-fluorophenyl)-4-(2,2-difluoroethoxy)butan-2-ol

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)OC(F)(F)F)C(CCOCC(F)F)O

DOS

IR

Vibrations