Geometry & MOs

Info

ID:	65852
PubChem CID:	46386942
Reduced:	N3O5H21C26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	441.132471
ΔH_f, kcal/mol:	-57.29
Dipole, Da:	3.04
IP(EA), eV:	-8.35(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC(=CC=C1)OC2=NN=C(C=C2)C3=CC=C(C=C3)C(=O)NC4=CC5=C(C=C4)OCCO5

DOS

IR

Vibrations