Geometry & MOs

Info

ID:	334712
PubChem CID:	127253387
Reduced:	N4O5H20C27 (1)
Stoich.:	A4B5C20D27 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-12.37
Dipole, Da:	3.25
IP(EA), eV:	-8.49(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CCC5=NC(=NO5)C6=CC=CC=N6)OC

DOS

IR

Vibrations