Geometry & MOs

Info

ID:	271105
PubChem CID:	103643493
Reduced:	BrN2O2C11H15 (1)
Stoich.:	AB2C2D11E15 (1)
Weight, g/mol:	274.131742
ΔH_f, kcal/mol:	-63.56
Dipole, Da:	8.29
IP(EA), eV:	-9.07(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(3-methoxypiperidin-1-yl)-2-oxoethoxy]benzonitrile

Drug info:

PubChemData

Smile

COC1CCCN(C1)C(=O)C2=CC(=CN2)Br

DOS

IR

Vibrations