Geometry & MOs

Info

ID:	337237
PubChem CID:	127256802
Reduced:	ON2H8C9 (2)
Stoich.:	AB2C8D9 (2)
Weight, g/mol:	258.082684
ΔH_f, kcal/mol:	58.33
Dipole, Da:	11.79
IP(EA), eV:	-8.52(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-[(Z)-2-methylsulfanyl-1-phenylethenyl]pyridazin-3-one

Drug info:

PubChemData

Smile

COC1=CC=CC=C1/C(=C/2\C=C(N=NC2=O)C3=CC=CC=C3)/NN

DOS

IR

Vibrations