Geometry & MOs

Info

ID:	281285
PubChem CID:	103913649
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	254.121927
ΔH_f, kcal/mol:	20.6
Dipole, Da:	4.36
IP(EA), eV:	-8.83(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2,4-dimethylanilino)methyl]-2-fluorobenzonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NCC2=C(C(=CC=C2)C#N)F)C

DOS

IR

Vibrations