Geometry & MOs

Info

ID:	78997
PubChem CID:	49743030
Reduced:	NO2C10H10 (2)
Stoich.:	AB2C10D10 (2)
Weight, g/mol:	336.111007
ΔH_f, kcal/mol:	-124.35
Dipole, Da:	6.58
IP(EA), eV:	-8.83(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-oxo-1H-quinolin-7-yl)-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations