Geometry & MOs

Info

ID:	374089
PubChem CID:	131323595
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-177.91
Dipole, Da:	1.98
IP(EA), eV:	-9.27(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-1-chloro-4-(difluoromethoxy)-2-methoxybenzene

Drug info:

PubChemData

Smile

COC1=CC(=C(C(=C1)Cl)OC(F)F)CBr

DOS

IR

Vibrations