Geometry & MOs

Info

ID:	374088
PubChem CID:	131323589
Reduced:	BrClF2O2H8C9 (1)
Stoich.:	ABC2D2E8F9 (1)
Weight, g/mol:	299.93643
ΔH_f, kcal/mol:	-171.19
Dipole, Da:	2.74
IP(EA), eV:	-9.19(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(bromomethyl)-3-chloro-2-(difluoromethoxy)-5-methoxybenzene

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations