Geometry & MOs

Info

ID:	424469
PubChem CID:	135122802
Reduced:	SO2F3N6C29H31 (1)
Stoich.:	AB2C3D6E29F31 (1)
Weight, g/mol:	327.083076
ΔH_f, kcal/mol:	-130.69
Dipole, Da:	5.21
IP(EA), eV:	-8.75(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-[N-methyl-4-(trifluoromethoxy)anilino]pyridazin-3-yl]oxyacetaldehyde

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1CC(C)/C=N/N=C\2/N(C(=O)CS2)C3=CC=CC=C3C(C)C)N(C)C4=CC=C(C=C4)OC(F)(F)F

DOS

IR

Vibrations