Geometry & MOs

Info

ID:	65818
PubChem CID:	46386902
Reduced:	N3O4H23C26 (1)
Stoich.:	A3B4C23D26 (1)
Weight, g/mol:	441.132471
ΔH_f, kcal/mol:	-23.34
Dipole, Da:	7.3
IP(EA), eV:	-8.41(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-4-[6-(2-methoxyphenoxy)pyridazin-3-yl]benzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4OC

DOS

IR

Vibrations