Geometry & MOs

Info

ID:	281286
PubChem CID:	103913650
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	244.081205
ΔH_f, kcal/mol:	18.75
Dipole, Da:	4.56
IP(EA), eV:	-8.35(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations