Geometry & MOs

Info

ID:	282046
PubChem CID:	103914789
Reduced:	ClN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	262.148141
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	3.44
IP(EA), eV:	-9.47(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-3-[[1-(oxan-4-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CC(C1CCOCC1)NCC2=C(C=C(C=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations