Geometry & MOs

Info

ID:	281307
PubChem CID:	103913681
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	258.096855
ΔH_f, kcal/mol:	24.55
Dipole, Da:	4.21
IP(EA), eV:	-8.82(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(4-fluoro-2-methylanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCC2=C(C(=CC=C2)C#N)F

DOS

IR

Vibrations