Geometry & MOs

Info

ID:	176141
PubChem CID:	76000437
Reduced:	FN2O2H17C20 (1)
Stoich.:	AB2C2D17E20 (1)
Weight, g/mol:	484.220951
ΔH_f, kcal/mol:	-44.03
Dipole, Da:	5.33
IP(EA), eV:	-9.07(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-morpholin-4-yl-2-oxoethyl)-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxylate

Drug info:

PubChemData

Smile

C1C(OC(=C2C1=NNC2=O)C3=CC=C(C=C3)F)CCC4=CC=CC=C4

DOS

IR

Vibrations