Geometry & MOs

Info

ID:	246995
PubChem CID:	103066197
Reduced:	BrClO2C11H12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	266.032142
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	1.12
IP(EA), eV:	-8.51(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(chloromethyl)prop-2-enoxy]-2-(trifluoromethoxy)benzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OCC(=C)CCl)Br

DOS

IR

Vibrations