Geometry & MOs

Info

ID:	373211
PubChem CID:	131311647
Reduced:	BrClOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	283.94151
ΔH_f, kcal/mol:	-147.37
Dipole, Da:	1.27
IP(EA), eV:	-9.58(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1CBr)Cl)OC(F)F

DOS

IR

Vibrations