Geometry & MOs

Info

ID:	406670
PubChem CID:	135078314
Reduced:	BrO6C20H27 (1)
Stoich.:	AB6C20D27 (1)
Weight, g/mol:	282.086764
ΔH_f, kcal/mol:	-245.42
Dipole, Da:	2.62
IP(EA), eV:	-8.67(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,2-dimethoxy-4-[2-(trifluoromethyl)phenyl]benzene

Drug info:

PubChemData

Smile

CCOC(=O)C(C/C=C\CBr)(CC1=CC(=CC(=C1)OC)OC)C(=O)OCC

DOS

IR

Vibrations