Geometry & MOs

Info

ID:	375447
PubChem CID:	131529753
Reduced:	BrF2N2H7C9 (1)
Stoich.:	AB2C2D7E9 (1)
Weight, g/mol:	256.98515
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	3.86
IP(EA), eV:	-9.85(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-bromo-3-fluoro-6-hydroxyphenyl)butanenitrile

Drug info:

PubChemData

Smile

C1=C(C(=CC(=C1Br)F)F)C(CN)C#N

DOS

IR

Vibrations