Geometry & MOs

Info

ID:	7309
PubChem CID:	72103
Reduced:	NO3H8C9 (2)
Stoich.:	AB3C8D9 (2)
Weight, g/mol:	356.100836
ΔH_f, kcal/mol:	-208.43
Dipole, Da:	4.41
IP(EA), eV:	-9.4(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-butyl-4,10-dioxo-1,7-dihydro-1,7-phenanthroline-2,8-dicarboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=CC2=C(C3=C1NC(=CC3=O)C(=O)O)NC(=CC2=O)C(=O)O

DOS

IR

Vibrations