Geometry & MOs

Info

ID:	60156
PubChem CID:	26675799
Reduced:	FNO4H14C18 (1)
Stoich.:	ABC4D14E18 (1)
Weight, g/mol:	456.00046
ΔH_f, kcal/mol:	-117.63
Dipole, Da:	2.18
IP(EA), eV:	-9.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-iodophenoxy)-1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

COC(=O)C1=CC(=CC=C1)OCC2=NC=C(O2)C3=CC=C(C=C3)F

DOS

IR

Vibrations