Geometry & MOs

Info

ID:	81783
PubChem CID:	49855149
Reduced:	NOC6H7 (3)
Stoich.:	ABC6D7 (3)
Weight, g/mol:	334.131742
ΔH_f, kcal/mol:	-47.72
Dipole, Da:	7.27
IP(EA), eV:	-8.61(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-hydroxy-2-(4-phenylpiperazin-1-yl)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(=O)N/N=C/C2=CC(=CC=C2)OCCO

DOS

IR

Vibrations