Geometry & MOs

Info

ID:	271683
PubChem CID:	103688073
Reduced:	ClIN2O2C12H12 (1)
Stoich.:	ABC2D2E12F12 (1)
Weight, g/mol:	242.04582
ΔH_f, kcal/mol:	-44.98
Dipole, Da:	2.37
IP(EA), eV:	-9.7(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chlorofuran-2-carbonyl)-1-methylpiperazin-2-one

Drug info:

PubChemData

Smile

CN1CCN(CC1=O)C(=O)C2=C(C=CC(=C2)Cl)I

DOS

IR

Vibrations