Geometry & MOs

Info

ID:	374522
PubChem CID:	131330850
Reduced:	OBr2F4H6C9 (1)
Stoich.:	AB2C4D6E9 (1)
Weight, g/mol:	296.91677
ΔH_f, kcal/mol:	-227.38
Dipole, Da:	3.53
IP(EA), eV:	-10.0(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-bromo-4-chloro-6-(trifluoromethyl)phenyl]acetonitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1C(F)F)Br)OC(F)F)CBr

DOS

IR

Vibrations