Geometry & MOs

Info

ID:	260963
PubChem CID:	103211364
Reduced:	BrF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	389.98452
ΔH_f, kcal/mol:	-186.74
Dipole, Da:	3.57
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-1-[1-chloro-3-(2,2,2-trifluoroethoxy)propyl]-2,4-dimethoxybenzene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C(CCOCC(F)F)Br

DOS

IR

Vibrations