Geometry & MOs

Info

ID:	180749
PubChem CID:	76679718
Reduced:	N4O4H20C25 (1)
Stoich.:	A4B4C20D25 (1)
Weight, g/mol:	302.98686
ΔH_f, kcal/mol:	-47.11
Dipole, Da:	7.91
IP(EA), eV:	-8.72(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(5-iodo-6-methylpyridin-3-yl)pyrazolidin-3-one

Drug info:

PubChemData

Smile

CN1C=CC(=C1)C2=CC3=C(CN(C3=O)CC4(CC(=O)NC4=O)C5=CC6=C(O5)C=CC=N6)C=C2

DOS

IR

Vibrations