Geometry & MOs

Info

ID:	135565
PubChem CID:	51894098
Reduced:	O3N6H19C20 (1)
Stoich.:	A3B6C19D20 (1)
Weight, g/mol:	350.125314
ΔH_f, kcal/mol:	48.96
Dipole, Da:	5.9
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.959387
Charge, e:	-1

Chem-info

IUPAC name:

6-[3-(6-oxo-3-phenylpyridazin-1-yl)propylcarbamoyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(C=C2)N3CCN(CC3)C(=O)C4=NN=C(C=C4)[O-]

DOS

IR

Vibrations