Geometry & MOs

Info

ID:	65804
PubChem CID:	46386888
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-24.71
Dipole, Da:	6.25
IP(EA), eV:	-8.96(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-(3-methylbutyl)benzamide

Drug info:

PubChemData

Smile

CCC(C)NC(=O)C1=CC=C(C=C1)C2=NN=C(C=C2)OC3=CC=CC=C3OC

DOS

IR

Vibrations