Geometry & MOs

Info

ID:	81784
PubChem CID:	49855152
Reduced:	N2O3H18C20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	368.09277
ΔH_f, kcal/mol:	-42.09
Dipole, Da:	1.9
IP(EA), eV:	-8.5(-1.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(2-chlorophenyl)piperazin-1-yl]-8-hydroxynaphthalene-1,4-dione

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=CC=C2)C3=CC(=O)C4=C(C3=O)C(=CC=C4)O

DOS

IR

Vibrations