Geometry & MOs

Info

ID:	374090
PubChem CID:	131323600
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-173.19
Dipole, Da:	3.72
IP(EA), eV:	-9.37(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-4-chloro-2-(difluoromethoxy)-5-methoxybenzene

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1CBr)OC(F)F)Cl

DOS

IR

Vibrations