Geometry & MOs

Info

ID:	15205
PubChem CID:	433288
Reduced:	N2O4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	284.079707
ΔH_f, kcal/mol:	-76.17
Dipole, Da:	6.39
IP(EA), eV:	-8.64(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(5,6-dioxo-4aH-4,7-phenanthrolin-4-yl)propanoic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C(=O)C(=O)C3C2=CC=CN3CCC(=O)O)N=C1

DOS

IR

Vibrations