Geometry & MOs

Info

ID:	297189
PubChem CID:	117612261
Reduced:	NI2O4C20H23 (1)
Stoich.:	AB2C4D20E23 (1)
Weight, g/mol:	575.94069
ΔH_f, kcal/mol:	-101.69
Dipole, Da:	3.8
IP(EA), eV:	-8.65(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(4-hydroxyphenoxy)-3,5-diiodophenyl]-1-(3-methylidenepiperazin-1-yl)ethanone

Drug info:

PubChemData

Smile

CCCOCCNC(=O)CCC1=CC(=C(C(=C1)I)OC2=CC=C(C=C2)O)I

DOS

IR

Vibrations