Geometry & MOs

Info

ID:	65813
PubChem CID:	46386897
Reduced:	NOC8H9 (3)
Stoich.:	ABC8D9 (3)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-27.41
Dipole, Da:	5.21
IP(EA), eV:	-9.08(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-butyl-4-[6-(2-methoxyphenoxy)pyridazin-3-yl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CCCCN(CC)C(=O)C1=CC=C(C=C1)C2=NN=C(C=C2)OC3=CC=CC=C3OC

DOS

IR

Vibrations