Geometry & MOs

Info

ID:	168862
PubChem CID:	75028737
Reduced:	ISN4O4C17H17 (1)
Stoich.:	ABC4D4E17F17 (1)
Weight, g/mol:	327.121906
ΔH_f, kcal/mol:	-57.88
Dipole, Da:	2.61
IP(EA), eV:	-8.51(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 6-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)-4-oxo-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)SCC2=C3C(=NC=N2)N(C=N3)C4C(C(C(O4)CO)O)O)I

DOS

IR

Vibrations