Geometry & MOs

Info

ID:	334061
PubChem CID:	127252613
Reduced:	N2O3C13H14 (2)
Stoich.:	A2B3C13D14 (2)
Weight, g/mol:	442.116486
ΔH_f, kcal/mol:	-187.79
Dipole, Da:	5.38
IP(EA), eV:	-8.86(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3,4-dimethoxy-5,11-dioxoindeno[1,2-c]isoquinolin-6-yl)amino]benzoic acid

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NCC(=O)N5CCCC5)OC

DOS

IR

Vibrations