Geometry & MOs

Info

ID:	431413
PubChem CID:	135171488
Reduced:	OSBr2N4C12H12 (1)
Stoich.:	ABC2D4E12F12 (1)
Weight, g/mol:	369.14887
ΔH_f, kcal/mol:	114.94
Dipole, Da:	8.48
IP(EA), eV:	-8.71(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-[4-(3-cyanophenoxy)piperidin-1-yl]-2-fluoro-5-methylpyridine-3-carboxylate

Drug info:

PubChemData

Smile

C1CC2COCC1N2C3=NC(=CS3)N4C=C(N=C4Br)Br

DOS

IR

Vibrations