Geometry & MOs

Info

ID:	293799
PubChem CID:	117402433
Reduced:	ON3C15H21 (1)
Stoich.:	AB3C15D21 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-22.02
Dipole, Da:	4.53
IP(EA), eV:	-8.49(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(piperidin-2-ylmethyl)phenyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

CN1CC(CC1C2=C3CC(=O)N(C3=CC=C2)C)CN

DOS

IR

Vibrations