Geometry & MOs

Info

ID:	277532
PubChem CID:	103829252
Reduced:	ON2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-27.72
Dipole, Da:	6.66
IP(EA), eV:	-9.26(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[(3-methoxypiperidin-1-yl)methyl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)N1CCN(CC1)CC2=CC(=NC=C2)C#N

DOS

IR

Vibrations