Geometry & MOs

Info

ID:	677
PubChem CID:	3180
Reduced:	NO2C18H27 (1)
Stoich.:	AB2C18D27 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-85.76
Dipole, Da:	5.05
IP(EA), eV:	-8.62(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-butoxyphenyl)-3-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)CCN2CCCCC2

DOS

IR

Vibrations