Geometry & MOs

Info

ID:	68228
PubChem CID:	46508005
Reduced:	ClN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	382.12772
ΔH_f, kcal/mol:	-66.19
Dipole, Da:	6.37
IP(EA), eV:	-8.81(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-2-oxoethyl] 2-quinolin-8-ylacetate

Drug info:

PubChemData

Smile

C1=CC2=C(C(=C1)CC(=O)OCC(=O)NC3=CC=C(C=C3)Cl)N=CC=C2

DOS

IR

Vibrations