Geometry & MOs

Info

ID:	139721
PubChem CID:	52584727
Reduced:	SN3O5C24H37 (1)
Stoich.:	AB3C5D24E37 (1)
Weight, g/mol:	249.123917
ΔH_f, kcal/mol:	-241.09
Dipole, Da:	5.0
IP(EA), eV:	-8.33(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-cyclohexyloxycarbonyl-5,6-dimethylpyridazin-3-olate

Drug info:

PubChemData

Smile

CCOCCCNC(=O)C1CCN(CC1)CC(=O)NC2=C(C3=C(S2)C[C@@H](CC3)C)C(=O)OC

DOS

IR

Vibrations