Geometry & MOs

Info

ID:	8527
PubChem CID:	78908
Reduced:	ClNO2C22H36 (1)
Stoich.:	ABC2D22E36 (1)
Weight, g/mol:	381.243457
ΔH_f, kcal/mol:	-138.74
Dipole, Da:	3.44
IP(EA), eV:	-8.61(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-octoxyphenyl)-3-piperidin-1-ylpropan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCCCCCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl

DOS

IR

Vibrations