Geometry & MOs

Info

ID:	56362
PubChem CID:	17425183
Reduced:	O2N4H20C21 (1)
Stoich.:	A2B4C20D21 (1)
Weight, g/mol:	278.04582
ΔH_f, kcal/mol:	7.32
Dipole, Da:	1.77
IP(EA), eV:	-8.94(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5-chloro-1-benzofuran-2-carbonyl)piperazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C2=NN(C=C2C(=O)N3CCNC(=O)C3)C4=CC=CC=C4

DOS

IR

Vibrations