Geometry & MOs

Info

ID:	281312
PubChem CID:	103913688
Reduced:	FCl2N2H9C14 (1)
Stoich.:	AB2C2D9E14 (1)
Weight, g/mol:	318.01679
ΔH_f, kcal/mol:	20.05
Dipole, Da:	5.33
IP(EA), eV:	-8.79(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-bromo-4-methylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations