Geometry & MOs

Info

ID:	6980
PubChem CID:	70863
Reduced:	ClNO2C17H26 (1)
Stoich.:	ABC2D17E26 (1)
Weight, g/mol:	311.165207
ΔH_f, kcal/mol:	-115.72
Dipole, Da:	3.4
IP(EA), eV:	-8.57(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-piperidin-1-yl-1-(4-propoxyphenyl)propan-1-one;hydrochloride

Drug info:

PubChemData

Smile

CCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2.Cl

DOS

IR

Vibrations