Geometry & MOs

Info

ID:	191429
PubChem CID:	78145818
Reduced:	NO7C19H19 (1)
Stoich.:	AB7C19D19 (1)
Weight, g/mol:	317.072179
ΔH_f, kcal/mol:	-218.32
Dipole, Da:	9.33
IP(EA), eV:	-9.2(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 7-(5-methylthiophen-2-yl)-2,5-dioxo-3,6,7,8-tetrahydroquinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1)C2CC3=NC(=O)C(C=C3C(=O)C2)C(=O)O)OC)OC

DOS

IR

Vibrations