Geometry & MOs

Info

ID:	335041
PubChem CID:	127253847
Reduced:	ClN4O5H25C26 (1)
Stoich.:	AB4C5D25E26 (1)
Weight, g/mol:	351.110673
ΔH_f, kcal/mol:	-90.83
Dipole, Da:	2.39
IP(EA), eV:	-8.83(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-hydroxyethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC(CC4=CC=CC=C4)C5=NC=NN5

DOS

IR

Vibrations