Geometry & MOs

Info

ID:	334025
PubChem CID:	127252577
Reduced:	ClN3O6C20H20 (1)
Stoich.:	AB3C6D20E20 (1)
Weight, g/mol:	436.142307
ΔH_f, kcal/mol:	-141.45
Dipole, Da:	3.76
IP(EA), eV:	-8.91(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1H-indol-4-ylmethyl)-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)NCC4=NC(=NO4)C

DOS

IR

Vibrations