Geometry & MOs

Info

ID:	234638
PubChem CID:	92303213
Reduced:	NO4C13H13 (1)
Stoich.:	AB4C13D13 (1)
Weight, g/mol:	247.084458
ΔH_f, kcal/mol:	-153.41
Dipole, Da:	6.44
IP(EA), eV:	-9.34(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-hydroxy-1-methyl-2-oxoquinolin-3-yl)propanoic acid

Drug info:

PubChemData

Smile

C[C@@H](C1=C(C2=CC=CC=C2N(C1=O)C)O)C(=O)O

DOS

IR

Vibrations