Geometry & MOs

Info

ID:	334645
PubChem CID:	127253320
Reduced:	ClN5O6H22C24 (1)
Stoich.:	AB5C6D22E24 (1)
Weight, g/mol:	463.210721
ΔH_f, kcal/mol:	-96.55
Dipole, Da:	5.14
IP(EA), eV:	-9.23(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-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)NC4=C(C=CC(=C4)OC)N5C=NN=N5

DOS

IR

Vibrations