Geometry & MOs

Info

ID:	129428
PubChem CID:	51072551
Reduced:	SO2N4C15H22 (1)
Stoich.:	AB2C4D15E22 (1)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	-49.67
Dipole, Da:	5.71
IP(EA), eV:	-8.65(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-chlorophenyl)-1-piperidin-1-ylpropan-1-one

Drug info:

PubChemData

Smile

CC1=C(SC2=NC(=NC(=C12)NCCO)CN3CCOCC3)C

DOS

IR

Vibrations