Geometry & MOs

Info

ID:	281310
PubChem CID:	103913685
Reduced:	BrFN2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	268.137577
ΔH_f, kcal/mol:	33.41
Dipole, Da:	3.49
IP(EA), eV:	-8.77(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2-propan-2-ylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)NCC2=C(C(=CC=C2)C#N)F)Br

DOS

IR

Vibrations