Geometry & MOs

Info

ID:	173483
PubChem CID:	75643097
Reduced:	SO2N5H17C22 (1)
Stoich.:	AB2C5D17E22 (1)
Weight, g/mol:	341.162708
ΔH_f, kcal/mol:	82.85
Dipole, Da:	1.27
IP(EA), eV:	-8.65(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-ethoxyphenyl)-2-methyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)SCC2=NN=C3C2C4(C5=CC=CC=C5NC4=O)C(=C(O3)N)C#N

DOS

IR

Vibrations