Geometry & MOs

Info

ID:	334547
PubChem CID:	127253222
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	434.090272
ΔH_f, kcal/mol:	58.18
Dipole, Da:	11.97
IP(EA), eV:	-8.84(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)-4-oxo-1H-quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)CN5C=CC6=C5C=CC=C6[N+](=O)[O-]

DOS

IR

Vibrations