Geometry & MOs

Info

ID:	268556
PubChem CID:	103599983
Reduced:	FO2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	289.204179
ΔH_f, kcal/mol:	-96.8
Dipole, Da:	3.76
IP(EA), eV:	-8.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-butan-2-ylphenoxy)-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CCC(C)C1=CC=C(C=C1)OCC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations