Geometry & MOs

Info

ID:	185500
PubChem CID:	77306325
Reduced:	O8H26C27 (1)
Stoich.:	A8B26C27 (1)
Weight, g/mol:	401.04879
ΔH_f, kcal/mol:	-258.73
Dipole, Da:	6.12
IP(EA), eV:	-9.15(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-iodoethyl)-3-methyl-5-oxo-1-(2-phenylethyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3=COC4CC(CC(C4C3=O)O)OCC=C

DOS

IR

Vibrations