Geometry & MOs

Info

ID:	157668
PubChem CID:	56436378
Reduced:	BrN2O3C18H19 (1)
Stoich.:	AB2C3D18E19 (1)
Weight, g/mol:	334.135114
ΔH_f, kcal/mol:	-80.75
Dipole, Da:	4.0
IP(EA), eV:	-8.8(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanylethyl 1-(2,5-dimethylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylate

Drug info:

PubChemData

Smile

C1COCCN1CC2=CC(=CC=C2)NC(=O)C3=C(C=C(C=C3)Br)O

DOS

IR

Vibrations