Geometry & MOs

Info

ID:	185259
PubChem CID:	77277999
Reduced:	ClN2O3C27H35 (1)
Stoich.:	AB2C3D27E35 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	-112.0
Dipole, Da:	4.62
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(4-chlorophenyl)-2-(6-methoxy-5-pyrazolidin-4-ylpyridin-2-yl)ethyl]pyrrolidin-2-one

Drug info:

PubChemData

Smile

CC(C)(C)C1C(CCN1C(=O)O)C=C(C2=CC=C(C=C2)C(C)(C)C)C3=NC(=C(C=C3)Cl)OC

DOS

IR

Vibrations