Geometry & MOs

Info

ID:	281315
PubChem CID:	103913693
Reduced:	FN2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	280.062361
ΔH_f, kcal/mol:	20.49
Dipole, Da:	4.42
IP(EA), eV:	-8.88(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[(2,3,4-trifluoroanilino)methyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations