Geometry & MOs

Info

ID:	65837
PubChem CID:	46386925
Reduced:	N3O3H23C26 (1)
Stoich.:	A3B3C23D26 (1)
Weight, g/mol:	425.173942
ΔH_f, kcal/mol:	9.43
Dipole, Da:	3.71
IP(EA), eV:	-8.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4OC

DOS

IR

Vibrations