Geometry & MOs

Info

ID:	251290
PubChem CID:	103102783
Reduced:	F2N2O3C11H12 (1)
Stoich.:	A2B2C3D11E12 (1)
Weight, g/mol:	273.111341
ΔH_f, kcal/mol:	-192.15
Dipole, Da:	8.05
IP(EA), eV:	-9.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-amino-2-oxoethyl)-ethylamino]quinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

CCN(CC(=O)N)C1=C(C=C(C=C1F)C(=O)O)F

DOS

IR

Vibrations