Geometry & MOs

Info

ID:	10912
PubChem CID:	108942
Reduced:	O4N5H11C19 (1)
Stoich.:	A4B5C11D19 (1)
Weight, g/mol:	373.081104
ΔH_f, kcal/mol:	-31.31
Dipole, Da:	8.54
IP(EA), eV:	-9.47(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-dioxobenzo[de]isoquinolin-6-yl)diazenyl]-2-hydroxy-4-methyl-6-oxo-1H-pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C(=O)NC(=C1C#N)O)N=NC2=C3C=CC=C4C3=C(C=C2)C(=O)NC4=O

DOS

IR

Vibrations