Geometry & MOs

Info

ID:	65879
PubChem CID:	46386969
Reduced:	FO2N3H20C21 (1)
Stoich.:	AB2C3D20E21 (1)
Weight, g/mol:	443.128134
ΔH_f, kcal/mol:	-41.28
Dipole, Da:	0.44
IP(EA), eV:	-9.41(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(4-fluorophenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C1=CC=C(C=C1)C2=NN=C(C=C2)OC3=CC=C(C=C3)F

DOS

IR

Vibrations