Geometry & MOs

Info

ID:	133432
PubChem CID:	51525335
Reduced:	OSN3C9H10 (2)
Stoich.:	ABC3D9E10 (2)
Weight, g/mol:	309.103931
ΔH_f, kcal/mol:	7.52
Dipole, Da:	5.21
IP(EA), eV:	-8.93(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

6-(4-fluorophenyl)-4-[(4-methoxyphenyl)methyl]pyridazin-3-olate

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C1C3=C(S2)C4=NC(=NN4C=N3)[C@@H]5CCCN(C5)S(=O)(=O)C)C

DOS

IR

Vibrations