Geometry & MOs

Info

ID:	151217
PubChem CID:	53790917
Reduced:	NO6C17H25 (1)
Stoich.:	AB6C17D25 (1)
Weight, g/mol:	353.137556
ΔH_f, kcal/mol:	-248.61
Dipole, Da:	1.34
IP(EA), eV:	-8.75(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-[ethyl(propyl)carbamoyl]-4-oxo-1H-1,10-phenanthroline-3-carboxylic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC(CC(=O)OC)C(=O)NCC(OC)OC

DOS

IR

Vibrations