Geometry & MOs

Info

ID:	260956
PubChem CID:	103210760
Reduced:	IOCl2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	363.92442
ΔH_f, kcal/mol:	-4.75
Dipole, Da:	4.09
IP(EA), eV:	-8.9(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2=C(C=CC(=C2)C(C3=CC(=C(C=C3)I)Cl)Cl)OC1

DOS

IR

Vibrations