Geometry & MOs

Info

ID:	374091
PubChem CID:	131323602
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-174.38
Dipole, Da:	4.0
IP(EA), eV:	-9.24(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations