Geometry & MOs

Info

ID:	281294
PubChem CID:	103913659
Reduced:	N2F4H10C15 (1)
Stoich.:	A2B4C10D15 (1)
Weight, g/mol:	244.081205
ΔH_f, kcal/mol:	-127.53
Dipole, Da:	3.6
IP(EA), eV:	-9.05(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2-fluoroanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations