Geometry & MOs

Info

ID:	438819
PubChem CID:	135228576
Reduced:	NC11H17 (2)
Stoich.:	AB11C17 (2)
Weight, g/mol:	539.196431
ΔH_f, kcal/mol:	4.57
Dipole, Da:	3.36
IP(EA), eV:	-8.71(0.37)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[6-(1,6-dimethoxypyridazin-1-ium-3-yl)-4,6-dimethyl-5-oxo-7,8-dihydroquinolin-2-yl]-2-(4-ethylsulfonylphenyl)acetamide

Drug info:

PubChemData

Smile

CC=N/C=C(\C)/C1=CC=CC=C1C(C)CCC2CCC(CC2)NC

DOS

IR

Vibrations