Geometry & MOs

Info

ID:	15509
PubChem CID:	443038
Reduced:	ClN2O4H15C18 (1)
Stoich.:	AB2C4D15E18 (1)
Weight, g/mol:	358.072035
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	9.88
IP(EA), eV:	-9.36(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-4-oxo-5-propoxycinnoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCOC1=CC=CC2=C1C(=O)C(=NN2C3=CC=C(C=C3)Cl)C(=O)O

DOS

IR

Vibrations