Geometry & MOs

Info

ID:	77621
PubChem CID:	49658433
Reduced:	ClN2O3H17C19 (1)
Stoich.:	AB2C3D17E19 (1)
Weight, g/mol:	400.082599
ΔH_f, kcal/mol:	-89.6
Dipole, Da:	5.46
IP(EA), eV:	-9.3(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(1,3-benzodioxol-5-ylmethylamino)-7-chloro-2-oxo-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(C=C(C=C2)Cl)NC1=O)NCC3=CC=CC=C3

DOS

IR

Vibrations