Geometry & MOs

Info

ID:	142910
PubChem CID:	53113021
Reduced:	NO3C11H11 (2)
Stoich.:	AB3C11D11 (2)
Weight, g/mol:	416.117235
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	4.23
IP(EA), eV:	-8.56(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-4-methoxyquinolin-6-yl]-1,3-benzodioxole-5-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)COC2=CC(=NC3=C2C=C(C=C3)OC)C(=O)OC

DOS

IR

Vibrations