Geometry & MOs

Info

ID:	373932
PubChem CID:	131321422
Reduced:	BrOSF3H6C10 (1)
Stoich.:	ABCD3E6F10 (1)
Weight, g/mol:	295.98596
ΔH_f, kcal/mol:	-154.93
Dipole, Da:	2.49
IP(EA), eV:	-9.2(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-5-(difluoromethoxy)-2,3-dimethoxybenzene

Drug info:

PubChemData

Smile

C1=CC(=C(C2=C1C=C(S2)OC(F)F)CBr)F

DOS

IR

Vibrations