Geometry & MOs

Info

ID:	325400
PubChem CID:	126683072
Reduced:	NOC5H5 (4)
Stoich.:	ABC5D5 (4)
Weight, g/mol:	327.049135
ΔH_f, kcal/mol:	-81.77
Dipole, Da:	4.57
IP(EA), eV:	-10.1(-2.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(methylaminooxycarbonyl)-5,6-dioxo-1,10-phenanthroline-2-carboxylic acid

Drug info:

PubChemData

Smile

CCC(C)CNC(=O)C1=NC2=C(C=C1)C(=O)C(=O)C3=C2N=C(C=C3)C(=O)NC

DOS

IR

Vibrations