Geometry & MOs

Info

ID:	28034
PubChem CID:	825209
Reduced:	NO3Cl4H5C10 (1)
Stoich.:	AB3C4D5E10 (1)
Weight, g/mol:	344.11658
ΔH_f, kcal/mol:	-110.6
Dipole, Da:	4.72
IP(EA), eV:	-9.74(-1.94)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-benzyl-7-chloro-2-hydroxy-1-(2-methylpropyl)pyrimido[1,2-b]pyridazin-1-ium-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1Cl)NC(=O)C(C2=O)(Cl)Cl)Cl

DOS

IR

Vibrations