Geometry & MOs

Info

ID:	431098
PubChem CID:	135171168
Reduced:	PSO2N5C19H20 (1)
Stoich.:	ABC2D5E19F20 (1)
Weight, g/mol:	166.074228
ΔH_f, kcal/mol:	-21.61
Dipole, Da:	4.76
IP(EA), eV:	-8.22(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5,6-dimethylpyridazine-3-carboxylate

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC3=C(C=C2)N/C(=C/4\C(=O)C5=C(C=CS5)N(C4=O)P)/N3

DOS

IR

Vibrations