Geometry & MOs

Info

ID:	6483
PubChem CID:	68731
Reduced:	CaNO7H15C19 (1)
Stoich.:	ABC7D15E19 (1)
Weight, g/mol:	409.047443
ΔH_f, kcal/mol:	-219.27
Dipole, Da:	51.29
IP(EA), eV:	-7.91(-4.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

calcium;9-ethyl-4,6-dioxo-10-propylpyrano[3,2-g]quinoline-2,8-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1=C2C(=CC3=C1OC(=CC3=O)C(=O)[O-])C(=O)C=C(N2CC)C(=O)[O-].[Ca+2]

DOS

IR

Vibrations