Geometry & MOs

Info

ID:	374092
PubChem CID:	131323604
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-170.23
Dipole, Da:	3.76
IP(EA), eV:	-9.66(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1OC(F)F)Cl)CBr

DOS

IR

Vibrations