Geometry & MOs

Info

ID:	141590
PubChem CID:	52899753
Reduced:	O4N5C21H23 (1)
Stoich.:	A4B5C21D23 (1)
Weight, g/mol:	383.19574
ΔH_f, kcal/mol:	-55.41
Dipole, Da:	1.85
IP(EA), eV:	-8.55(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidophenyl)-2-[3-(4-methylpiperidin-1-yl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C=NN(C2=O)CC(=O)N3CCN(CC3)C4=CC=CC=N4)OC

DOS

IR

Vibrations