Geometry & MOs

Info

ID:	121828
PubChem CID:	50782985
Reduced:	BrN2O3C19H21 (1)
Stoich.:	AB2C3D19E21 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-92.75
Dipole, Da:	1.51
IP(EA), eV:	-8.26(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-acetamido-2-[2-(dimethylamino)ethyl-ethylamino]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(C)C1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)Br)C(=O)O

DOS

IR

Vibrations