Geometry & MOs

Info

ID:	335126
PubChem CID:	127253987
Reduced:	ClN5O8H28C33 (1)
Stoich.:	AB5C8D28E33 (1)
Weight, g/mol:	434.184172
ΔH_f, kcal/mol:	-193.56
Dipole, Da:	8.82
IP(EA), eV:	-9.08(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-(3-morpholin-4-ylpropyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C3=C(N2)N(C(=O)N(C3=O)C)C)C4=CC(=CC=C4)OC5=NC=CC=N5)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations