Geometry & MOs

Info

ID:	133901
PubChem CID:	51611161
Reduced:	ClN3O3H5C12 (1)
Stoich.:	AB3C3D5E12 (1)
Weight, g/mol:	240.040916
ΔH_f, kcal/mol:	31.22
Dipole, Da:	15.46
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.242478
Charge, e:	-1

Chem-info

IUPAC name:

10-oxopyridazino[6,1-b]quinazoline-2-carboxylate

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1Cl)C(=O)N3C(=N2)C=CC(=N3)C(=O)[O-]

DOS

IR

Vibrations