Geometry & MOs

Info

ID:	65815
PubChem CID:	46386899
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	455.148121
ΔH_f, kcal/mol:	-29.08
Dipole, Da:	4.06
IP(EA), eV:	-9.1(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-[6-(2-methoxyphenoxy)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=CC=C3OC

DOS

IR

Vibrations