Geometry & MOs

Info

ID:	142907
PubChem CID:	53112937
Reduced:	NO2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	366.121572
ΔH_f, kcal/mol:	-127.12
Dipole, Da:	3.74
IP(EA), eV:	-9.49(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[2-(4-methoxyanilino)-2-oxoethoxy]quinoline-2-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=NC2=CC=CC=C2C(=C1)OCC(=O)NC3CCCC3

DOS

IR

Vibrations