Geometry & MOs

Info

ID:	281327
PubChem CID:	103913709
Reduced:	FON2H15C16 (1)
Stoich.:	ABC2D15E16 (1)
Weight, g/mol:	260.093661
ΔH_f, kcal/mol:	-12.22
Dipole, Da:	4.69
IP(EA), eV:	-8.15(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]benzonitrile

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations