Geometry & MOs

Info

ID:	287286
PubChem CID:	104234256
Reduced:	FON2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	250.148141
ΔH_f, kcal/mol:	-7.93
Dipole, Da:	3.37
IP(EA), eV:	-8.94(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-fluoro-4-[1-(methylamino)ethyl]phenoxy]pentanenitrile

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=CC(=CC=C2)C#N)F)NC

DOS

IR

Vibrations