Geometry & MOs

Info

ID:	51061
PubChem CID:	12013679
Reduced:	ClN2O3H23C26 (1)
Stoich.:	AB2C3D23E26 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-37.63
Dipole, Da:	5.04
IP(EA), eV:	-9.07(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenyl-1-propylpiperidin-2-one

Drug info:

PubChemData

Smile

C[C@H]1C[C@]2([C@@H](C(=O)N2C3=CC=CC=C3N1C(=O)C4=CC=CC=C4)Cl)C5=CC=C(C=C5)OC

DOS

IR

Vibrations