Geometry & MOs

Info

ID:	272938
PubChem CID:	103768402
Reduced:	ClN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	248.132491
ΔH_f, kcal/mol:	-56.6
Dipole, Da:	8.96
IP(EA), eV:	-9.12(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-6-[1-(oxan-4-yl)ethylamino]benzonitrile

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl

DOS

IR

Vibrations