Geometry & MOs

Info

ID:	184824
PubChem CID:	77214655
Reduced:	SN3O4H19C20 (2)
Stoich.:	AB3C4D19E20 (2)
Weight, g/mol:	197.071975
ΔH_f, kcal/mol:	-124.3
Dipole, Da:	8.74
IP(EA), eV:	-8.96(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-4-phenylpyrazolidin-3-amine

Drug info:

PubChemData

Smile

CNCC1=CN(C(=C1)C2=CC=CC=C2COC(=O)C=CC(=O)OCC3=CC=CC=C3C4=CC(=CN4S(=O)(=O)C5=CN=CC=C5)CNC)S(=O)(=O)C6=CN=CC=C6

DOS

IR

Vibrations