Geometry & MOs

Info

ID:	65886
PubChem CID:	46386980
Reduced:	FN3O4H20C25 (1)
Stoich.:	AB3C4D20E25 (1)
Weight, g/mol:	443.128134
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	4.27
IP(EA), eV:	-8.26(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=C(C=C4)F)OC

DOS

IR

Vibrations