Geometry & MOs

Info

ID:	272941
PubChem CID:	103768443
Reduced:	FN2O3C13H17 (1)
Stoich.:	AB2C3D13E17 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-94.82
Dipole, Da:	5.53
IP(EA), eV:	-9.06(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-[1-(oxan-4-yl)ethylamino]pyridine-3-carboxylate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations