Geometry & MOs

Info

ID:	65806
PubChem CID:	46386890
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-27.12
Dipole, Da:	4.46
IP(EA), eV:	-9.09(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[6-(2-methoxyphenoxy)pyridazin-3-yl]phenyl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC=C1OC2=NN=C(C=C2)C3=CC=C(C=C3)C(=O)NC4CCCCC4

DOS

IR

Vibrations