Geometry & MOs

Info

ID:	65896
PubChem CID:	46386997
Reduced:	N3O3H21C25 (1)
Stoich.:	A3B3C21D25 (1)
Weight, g/mol:	377.173942
ΔH_f, kcal/mol:	13.41
Dipole, Da:	3.47
IP(EA), eV:	-8.92(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CNC(=O)C2=CC=C(C=C2)C3=NN=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations