Geometry & MOs

Info

ID:	281314
PubChem CID:	103913692
Reduced:	BrF2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	-6.73
Dipole, Da:	3.85
IP(EA), eV:	-8.83(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,6-dimethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

C1=CC(=C(C(=C1)C#N)F)CNC2=C(C=C(C=C2)Br)F

DOS

IR

Vibrations