Geometry & MOs

Info

ID:	281338
PubChem CID:	103913727
Reduced:	NOC8H12 (2)
Stoich.:	ABC8D12 (2)
Weight, g/mol:	290.104226
ΔH_f, kcal/mol:	-42.69
Dipole, Da:	5.52
IP(EA), eV:	-8.96(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-(2,2,3,3-tetrafluoropropylamino)ethyl]phenoxy]acetonitrile

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)OCC#N)NCCCCCOC

DOS

IR

Vibrations