Geometry & MOs

Info

ID:	13071
PubChem CID:	220693
Reduced:	ClNO3H10C12 (1)
Stoich.:	ABC3D10E12 (1)
Weight, g/mol:	251.034921
ΔH_f, kcal/mol:	-104.92
Dipole, Da:	2.86
IP(EA), eV:	-9.06(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-chloro-3,5-dimethyl-4-oxo-1H-quinoline-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C2C(=C(C=C1)Cl)NC(=C(C2=O)C)C(=O)O

DOS

IR

Vibrations