Geometry & MOs

Info

ID:	281284
PubChem CID:	103913647
Reduced:	BrFN2H10C14 (1)
Stoich.:	ABC2D10E14 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	36.33
Dipole, Da:	3.67
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations