Geometry & MOs

Info

ID:	260960
PubChem CID:	103211174
Reduced:	BrOF3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	329.99008
ΔH_f, kcal/mol:	-198.25
Dipole, Da:	1.73
IP(EA), eV:	-9.53(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-bromo-3-(2,2,2-trifluoroethoxy)propyl]-3,5-dimethylthiophene

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1F)C)C(CCOCC(F)F)Br

DOS

IR

Vibrations