Geometry & MOs

Info

ID:	84975
PubChem CID:	49871075
Reduced:	BrO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	323.126991
ΔH_f, kcal/mol:	-118.42
Dipole, Da:	2.14
IP(EA), eV:	-8.65(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-hydroxy-1-methyl-4-oxoquinolin-3-yl)-N-(6-methylpyridin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C(=C1)Br)CCO)OC

DOS

IR

Vibrations