Geometry & MOs

Info

ID:	15583
PubChem CID:	444912
Reduced:	N4O4H28C31 (1)
Stoich.:	A4B4C28D31 (1)
Weight, g/mol:	520.211055
ΔH_f, kcal/mol:	-77.03
Dipole, Da:	9.35
IP(EA), eV:	-8.44(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[3-[2-(1,3-dioxobenzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione

Drug info:

PubChemData

Smile

C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)CCNCCCNCCN4C(=O)C5=CC=CC6=C5C(=CC=C6)C4=O

DOS

IR

Vibrations