Geometry & MOs

Info

ID:	264922
PubChem CID:	103503953
Reduced:	FNO3C11H12 (1)
Stoich.:	ABC3D11E12 (1)
Weight, g/mol:	227.188529
ΔH_f, kcal/mol:	-158.9
Dipole, Da:	4.45
IP(EA), eV:	-9.09(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-hydroxy-1-(4-propan-2-ylpiperidin-1-yl)pentan-1-one

Drug info:

PubChemData

Smile

C1CN(C2=C1C=CC(=C2)F)C(=O)OCCO

DOS

IR

Vibrations