Geometry & MOs

Info

ID:	373307
PubChem CID:	131313006
Reduced:	BrNOF3H5C9 (1)
Stoich.:	ABCD3E5F9 (1)
Weight, g/mol:	253.01023
ΔH_f, kcal/mol:	-134.81
Dipole, Da:	3.97
IP(EA), eV:	-10.32(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-bromo-4-hydroxyphenyl)-3-methylbutanenitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1CC#N)F)OC(F)F)Br

DOS

IR

Vibrations