Geometry & MOs

Info

ID:	78984
PubChem CID:	49742980
Reduced:	BrN3O3H20C22 (1)
Stoich.:	AB3C3D20E22 (1)
Weight, g/mol:	230.105528
ΔH_f, kcal/mol:	-83.54
Dipole, Da:	6.75
IP(EA), eV:	-9.03(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-ethyl-2-oxo-1H-quinolin-7-yl)acetamide

Drug info:

PubChemData

Smile

CCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3CC(=O)N(C3)C4=CC(=CC=C4)Br

DOS

IR

Vibrations