Geometry & MOs

Info

ID:	65903
PubChem CID:	46387012
Reduced:	N3O3C26H27 (1)
Stoich.:	A3B3C26D27 (1)
Weight, g/mol:	391.189592
ΔH_f, kcal/mol:	-19.55
Dipole, Da:	1.61
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OC2=NN=C(C=C2)C3=CC(=CC=C3)C(=O)NCCC4=CCCCC4

DOS

IR

Vibrations