Geometry & MOs

Info

ID:	73963
PubChem CID:	48421287
Reduced:	BrN3O4H12C16 (1)
Stoich.:	AB3C4D12E16 (1)
Weight, g/mol:	297.136493
ΔH_f, kcal/mol:	-39.74
Dipole, Da:	4.69
IP(EA), eV:	-8.68(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(4-methylphenoxy)ethoxy]-3,4-dihydro-1H-quinolin-2-one

Drug info:

PubChemData

Smile

C1CC(=O)NC2=C1C=C(C=C2)OCC3=NN=C(O3)C4=CC=C(O4)Br

DOS

IR

Vibrations