Geometry & MOs

Info

ID:	186178
PubChem CID:	77399565
Reduced:	BrN2O4H15C20 (1)
Stoich.:	AB2C4D15E20 (1)
Weight, g/mol:	538.232853
ΔH_f, kcal/mol:	-86.62
Dipole, Da:	9.72
IP(EA), eV:	-9.49(-1.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[4-(4-phenylpiperazine-1-carboximidoyl)phenyl]imidazolidine-2,4-dione

Drug info:

PubChemData

Smile

CCC1(C2=C(COC1=O)C(=O)N3CC4=C(C5=CC=CC=C5N=C4C3=C2)Br)O

DOS

IR

Vibrations