Geometry & MOs

Info

ID:	167871
PubChem CID:	74887920
Reduced:	ClON3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	273.184112
ΔH_f, kcal/mol:	13.97
Dipole, Da:	6.32
IP(EA), eV:	-8.62(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(cyclohexylmethylamino)phenyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

C1C(NNC1=O)C2=CC=C(C=C2)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations