Geometry & MOs

Info

ID:	135564
PubChem CID:	51894097
Reduced:	O4N5C20H21 (1)
Stoich.:	A4B5C20D21 (1)
Weight, g/mol:	391.151863
ΔH_f, kcal/mol:	-66.55
Dipole, Da:	8.27
IP(EA), eV:	-8.68(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-[4-[6-(4-methoxyphenyl)pyridazin-3-yl]piperazine-1-carbonyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

C1CC(=O)N[C@H]1C(=O)N2CCN(CC2)C3=NN=C(C=C3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations