Geometry & MOs

Info

ID:	130455
PubChem CID:	51090888
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	327.194677
ΔH_f, kcal/mol:	-144.04
Dipole, Da:	3.13
IP(EA), eV:	-9.14(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethoxy]benzonitrile

Drug info:

PubChemData

Smile

CCOC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)N3CCOCC3

DOS

IR

Vibrations