Geometry & MOs

Info

ID:	141605
PubChem CID:	52901330
Reduced:	SO2N5C20H25 (1)
Stoich.:	AB2C5D20E25 (1)
Weight, g/mol:	393.192666
ΔH_f, kcal/mol:	-25.49
Dipole, Da:	2.54
IP(EA), eV:	-8.3(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-(1-benzylpiperidin-1-ium-4-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]acetamide

Drug info:

PubChemData

Smile

C[C@@H](C(=O)NC1=NC2=C(S1)CCC2)NC(=O)N3CCN(CC3)C4=CC=CC=C4

DOS

IR

Vibrations