Geometry & MOs

Info

ID:	260962
PubChem CID:	103211317
Reduced:	OBr3F3H10C11 (1)
Stoich.:	AB3C3D10E11 (1)
Weight, g/mol:	336.05365
ΔH_f, kcal/mol:	-187.71
Dipole, Da:	4.49
IP(EA), eV:	-9.78(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1-bromo-3-(2,2-difluoroethoxy)propyl]-2-methoxy-1,3-dimethylbenzene

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Br)C(COCC(F)(F)F)Br)Br

DOS

IR

Vibrations