Geometry & MOs

Info

ID:	220729
PubChem CID:	85230785
Reduced:	OC7H12 (2)
Stoich.:	AB7C12 (2)
Weight, g/mol:	223.99887
ΔH_f, kcal/mol:	-66.62
Dipole, Da:	1.44
IP(EA), eV:	-9.72(2.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-4-oxo-4aH-cinnoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC2CCC(C3C2(CCCC3C1)O)O

DOS

IR

Vibrations