Geometry & MOs

Info

ID:	374601
PubChem CID:	131331941
Reduced:	ClSF2O2H5C10 (1)
Stoich.:	ABC2D2E5F10 (1)
Weight, g/mol:	240.99024
ΔH_f, kcal/mol:	-146.26
Dipole, Da:	3.35
IP(EA), eV:	-9.55(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-bromo-4-(fluoromethyl)phenyl]propanenitrile

Drug info:

PubChemData

Smile

C1=C(C=C2C(=C1C(=O)O)C=C(S2)Cl)C(F)F

DOS

IR

Vibrations