Geometry & MOs

Info

ID:	373209
PubChem CID:	131311631
Reduced:	ClF2N2O3H5C7 (1)
Stoich.:	AB2C2D3E5F7 (1)
Weight, g/mol:	283.94151
ΔH_f, kcal/mol:	-136.34
Dipole, Da:	6.49
IP(EA), eV:	-9.46(-1.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)Cl)OC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations