Geometry & MOs

Info

ID:	266462
PubChem CID:	103567131
Reduced:	SN2O2H12C13 (1)
Stoich.:	AB2C2D12E13 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	2.95
Dipole, Da:	8.44
IP(EA), eV:	-9.26(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5-(2-oxo-2-piperidin-1-ylethoxy)benzonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(S1)COC2=CC(=CC(=C2)OC)C#N

DOS

IR

Vibrations