Geometry & MOs

Info

ID:	65900
PubChem CID:	46387005
Reduced:	N3O4C22H23 (1)
Stoich.:	A3B4C22D23 (1)
Weight, g/mol:	403.189592
ΔH_f, kcal/mol:	-58.38
Dipole, Da:	3.33
IP(EA), eV:	-8.9(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCCCNC(=O)C1=CC=CC(=C1)C2=NN=C(C=C2)OC3=CC=C(C=C3)OC

DOS

IR

Vibrations