Geometry & MOs

Info

ID:	167870
PubChem CID:	74887852
Reduced:	N6C15H22 (1)
Stoich.:	A6B15C22 (1)
Weight, g/mol:	301.09819
ΔH_f, kcal/mol:	83.76
Dipole, Da:	4.53
IP(EA), eV:	-8.74(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[(2-chlorophenyl)methylamino]phenyl]pyrazolidin-3-one

Drug info:

PubChemData

Smile

CC1C(C(NN1)C)CNC2=CC=C(C=C2)CN3C=NC=N3

DOS

IR

Vibrations